Showing:

Annotations
Attributes
Diagrams
Facets
Identity Constraints
Instances
Properties
Source
Used by
Imported schema lpos.xsd
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
Schema for specifying the quantum numbers of open-shell linear polyatomic molecules
Properties
attribute form default: unqualified
element form default: qualified
Element lpos:QNs
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
A list of quantum numbers for open-shell linear polyatomic molecules
Diagram
Diagram lpos_xsd.tmp#id1419 lpos_xsd.tmp#id1420 lpos_xsd.tmp#id1421 lpos_xsd.tmp#id1422 lpos_xsd.tmp#id1423 lpos_xsd.tmp#id1424 lpos_xsd.tmp#id1425 lpos_xsd.tmp#id1426 lpos_xsd.tmp#id1427 lpos_xsd.tmp#id1428 lpos_xsd.tmp#id1429 lpos_xsd.tmp#id1430 lpos_xsd.tmp#id1431 lpos_xsd.tmp#id1432 lpos_xsd.tmp#id1433 lpos_xsd.tmp#id1434 lpos_xsd.tmp#id1435 lpos_xsd.tmp#id1436 lpos_xsd.tmp#id1437 lpos_xsd.tmp#id1418
Type lpos:QNsType
Properties
content: complex
Used by
Complex Type lpos:Case
Model lpos:ElecStateLabel{0,1} , lpos:elecInv{0,1} , lpos:elecRefl{0,1} , lpos:Lambda{0,1} , lpos:S{0,1} , lpos:vi* , lpos:li* , lpos:l{0,1} , lpos:vibInv{0,1} , lpos:vibRefl{0,1} , lpos:J{0,1} , lpos:N{0,1} , lpos:I{0,1} , lpos:Fj* , lpos:F{0,1} , lpos:r* , lpos:parity{0,1} , lpos:kronigParity{0,1} , lpos:asSym{0,1}
Children lpos:ElecStateLabel, lpos:F, lpos:Fj, lpos:I, lpos:J, lpos:Lambda, lpos:N, lpos:S, lpos:asSym, lpos:elecInv, lpos:elecRefl, lpos:kronigParity, lpos:l, lpos:li, lpos:parity, lpos:r, lpos:vi, lpos:vibInv, lpos:vibRefl
Instance
 
<lpos:QNs>
  <lpos:ElecStateLabel>{0,1}</lpos:ElecStateLabel>
  <lpos:elecInv>{0,1}</lpos:elecInv>
  <lpos:elecRefl>{0,1}</lpos:elecRefl>
  <lpos:Lambda>{0,1}</lpos:Lambda>
  <lpos:S>{0,1}</lpos:S>
  <lpos:vi mode="">{0,unbounded}</lpos:vi>
  <lpos:li mode="">{0,unbounded}</lpos:li>
  <lpos:l>{0,1}</lpos:l>
  <lpos:vibInv>{0,1}</lpos:vibInv>
  <lpos:vibRefl>{0,1}</lpos:vibRefl>
  <lpos:J>{0,1}</lpos:J>
  <lpos:N>{0,1}</lpos:N>
  <lpos:I id="" nuclearSpinRef="">{0,1}</lpos:I>
  <lpos:Fj j="" nuclearSpinRef="">{0,unbounded}</lpos:Fj>
  <lpos:F nuclearSpinRef="">{0,1}</lpos:F>
  <lpos:r name="">{0,unbounded}</lpos:r>
  <lpos:parity>{0,1}</lpos:parity>
  <lpos:kronigParity>{0,1}</lpos:kronigParity>
  <lpos:asSym>{0,1}</lpos:asSym>
</lpos:QNs>
Source
 
<xs:element name="QNs" type="lpos:QNsType">
  <xs:annotation>
    <xs:documentation>A list of quantum numbers for open-shell linear polyatomic molecules</xs:documentation>
  </xs:annotation>
  <!-- the name attribute to r must be unique within each state -->
  <xs:unique name="r-name">
    <xs:selector xpath="lpos:r"/>
    <xs:field xpath="@name"/>
  </xs:unique>
  <!-- the mode index of Vi and li must be unique within each state -->
  <xs:unique name="vi-mode">
    <xs:selector xpath="lpos:vi"/>
    <xs:field xpath="@mode"/>
  </xs:unique>
  <xs:unique name="li-mode">
    <xs:selector xpath="lpos:li"/>
    <xs:field xpath="@mode"/>
  </xs:unique>
  <!-- the spin ref of Fj must be unique within each state -->
  <xs:unique name="Fj-spinref">
    <xs:selector xpath="lpos:Fj"/>
    <xs:field xpath="@nuclearSpinRef"/>
  </xs:unique>
  <!-- the j of Fj must be unique within each state -->
  <xs:unique name="Fj-ref">
    <xs:selector xpath="lpos:Fj"/>
    <xs:field xpath="@j"/>
  </xs:unique>
</xs:element>
Element lpos:QNsType / lpos:ElecStateLabel
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
The label of the electronic state: X, a, A, b, etc...
Diagram
Diagram
Type xs:string
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Source
 
<xs:element name="ElecStateLabel" type="xs:string" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>The label of the electronic state: X, a, A, b, etc...</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:elecInv
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
Parity of the electronic wavefunction with respect to inversion through the molecular centre of mass in the molecular coordinate system: 'g' or 'u'
Diagram
Diagram commonTypes_xsd.tmp#id1278
Type UGParityType
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Facets
pattern u|g
Source
 
<xs:element name="elecInv" type="ctypes:UGParityType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>Parity of the electronic wavefunction with respect to inversion through the molecular centre of mass in the molecular coordinate system: 'g' or 'u'</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:elecRefl
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
Parity of the electronic wavefunction with respect to reflection in a plane containing the molecular symmetry axis in the molecular coordinate system: '+' or '-'
Diagram
Diagram commonTypes_xsd.tmp#id1275
Type PMParityType
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Facets
pattern \+|-
Source
 
<xs:element name="elecRefl" type="ctypes:PMParityType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>Parity of the electronic wavefunction with respect to reflection in a plane containing the molecular symmetry axis in the molecular coordinate system: '+' or '-'</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:Lambda
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
The magnitude of the projection of the total electronic orbital angular momentum onto the internuclear axis
Diagram
Diagram
Type xs:nonNegativeInteger
Properties
content: simple
minOccurs: 0
Source
 
<xs:element name="Lambda" type="xs:nonNegativeInteger" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The magnitude of the projection of the total electronic orbital angular momentum onto the internuclear axis</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:S
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
The total electronic spin angular momentum quantum number
Diagram
Diagram commonTypes_xsd.tmp#id1262
Type AMType
Properties
content: simple
minOccurs: 0
Facets
pattern \d+(\.[0|5]?)?
Source
 
<xs:element name="S" type="ctypes:AMType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The total electronic spin angular momentum quantum number</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:vi
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
A vibrational quantum number, v_i
Diagram
Diagram commonTypes_xsd.tmp#id1270 commonTypes_xsd.tmp#id1269
Type VibrationalQNType
Properties
content: complex
minOccurs: 0
maxOccurs: unbounded
Attributes
QName Type Fixed Default Use Annotation
mode xs:nonNegativeInteger required 
The label identifying the normal mode of this vibrational quantum number
Source
 
<xs:element name="vi" type="ctypes:VibrationalQNType" minOccurs="0" maxOccurs="unbounded">
  <xs:annotation>
    <xs:documentation>A vibrational quantum number, v_i</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:li
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
A quantum number, l_i, associated with the vibrational angular momentum of the nu_i normal mode; l_i are not totally good quantum numbers - see e.g. Herzberg II, p.212
Diagram
Diagram commonTypes_xsd.tmp#id1272 commonTypes_xsd.tmp#id1271
Type VibrationalAMQNType
Properties
content: complex
minOccurs: 0
maxOccurs: unbounded
Attributes
QName Type Fixed Default Use Annotation
mode xs:nonNegativeInteger required 
The label identifying the degenerate normal mode that this vibrational angular momentum quantum number applies to
Source
 
<xs:element name="li" type="ctypes:VibrationalAMQNType" minOccurs="0" maxOccurs="unbounded">
  <xs:annotation>
    <xs:documentation>A quantum number, l_i, associated with the vibrational angular momentum of the nu_i normal mode; l_i are not totally good quantum numbers - see e.g. Herzberg II, p.212</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:l
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
The quantum number, l, associated with the total vibrational angular momentum about the molecular axis
Diagram
Diagram
Type xs:integer
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Source
 
<xs:element name="l" type="xs:integer" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>The quantum number, l, associated with the total vibrational angular momentum about the molecular axis</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:vibInv
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
Parity of the vibronic wavefunction with respect to inversion through the molecular centre of mass in the molecular coordinate system: 'u' or 'g'
Diagram
Diagram commonTypes_xsd.tmp#id1278
Type UGParityType
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Facets
pattern u|g
Source
 
<xs:element name="vibInv" type="ctypes:UGParityType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>Parity of the vibronic wavefunction with respect to inversion through the molecular centre of mass in the molecular coordinate system: 'u' or 'g'</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:vibRefl
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
Parity of the vibronic wavefunction with respect to reflection in a plane containing the molecular symmetry axis in the molecular coordinate system: '+' or '-'
Diagram
Diagram commonTypes_xsd.tmp#id1275
Type PMParityType
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Facets
pattern \+|-
Source
 
<xs:element name="vibRefl" type="ctypes:PMParityType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>Parity of the vibronic wavefunction with respect to reflection in a plane containing the molecular symmetry axis in the molecular coordinate system: '+' or '-'</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:J
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
The rotational quantum number, J, associated with the total angular momentum excluding nuclear spin
Diagram
Diagram commonTypes_xsd.tmp#id1262
Type AMType
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Facets
pattern \d+(\.[0|5]?)?
Source
 
<xs:element name="J" type="ctypes:AMType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>The rotational quantum number, J, associated with the total angular momentum excluding nuclear spin</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:N
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
The quantum number associated with the total angular momentum excluding electronic and nuclear spin: J = N + S
Diagram
Diagram
Type xs:nonNegativeInteger
Properties
content: simple
minOccurs: 0
Source
 
<xs:element name="N" type="xs:nonNegativeInteger" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The quantum number associated with the total angular momentum excluding electronic and nuclear spin: J = N + S</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:I
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
The quantum number associated with the total nuclear spin angular momentum resulting from the coupling of two or more individual nuclear spin angular momenta: I = I1 + I2 + ...
Diagram
Diagram commonTypes_xsd.tmp#id1262 commonTypes_xsd.tmp#id1263 commonTypes_xsd.tmp#id1264 commonTypes_xsd.tmp#id1261
Type CoupledNuclearSpinAMType
Type hierarchy
Properties
content: complex
minOccurs: 0
Attributes
QName Type Fixed Default Use Annotation
id restriction of xs:string required 
A label this coupled nuclear spin angular momentum quantum number
nuclearSpinRef restriction of xs:string required 
A label identifying the nuclear spin to which an intermediate angular momentum is coupled
Source
 
<xs:element name="I" type="ctypes:CoupledNuclearSpinAMType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The quantum number associated with the total nuclear spin angular momentum resulting from the coupling of two or more individual nuclear spin angular momenta: I = I1 + I2 + ...</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:Fj
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
The quantum number, F_j, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin (F_j may not be a good quantum number)
Diagram
Diagram commonTypes_xsd.tmp#id1262 commonTypes_xsd.tmp#id1266 commonTypes_xsd.tmp#id1265 commonTypes_xsd.tmp#id1268 commonTypes_xsd.tmp#id1267
Type NuclearSpinIntermediateAMType
Type hierarchy
Properties
content: complex
minOccurs: 0
maxOccurs: unbounded
Attributes
QName Type Fixed Default Use Annotation
j xs:positiveInteger required 
An integer label, j, identifying Fj, an intermediate angular momentum quantum number
nuclearSpinRef restriction of xs:string required 
A label identifying the nuclear spin to which an intermediate angular momentum is coupled
Source
 
<xs:element name="Fj" type="ctypes:NuclearSpinIntermediateAMType" minOccurs="0" maxOccurs="unbounded">
  <xs:annotation>
    <xs:documentation>The quantum number, F_j, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin (F_j may not be a good quantum number)</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:F
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
The quantum number, F, associated with the total angular momentum including nuclear spin
Diagram
Diagram commonTypes_xsd.tmp#id1262 commonTypes_xsd.tmp#id1266 commonTypes_xsd.tmp#id1265
Type NuclearSpinAMType
Type hierarchy
Properties
content: complex
minOccurs: 0
maxOccurs: 1
Attributes
QName Type Fixed Default Use Annotation
nuclearSpinRef restriction of xs:string required 
A label identifying the nuclear spin to which an intermediate angular momentum is coupled
Source
 
<xs:element name="F" type="ctypes:NuclearSpinAMType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>The quantum number, F, associated with the total angular momentum including nuclear spin</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:r
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
A named ranking index for states of the same symmetry that can't be or haven't been differentiated any other way: r=1,2,... It is possible to have more than one r defining a state, but their name attributes have to be unique.
Diagram
Diagram commonTypes_xsd.tmp#id1257 commonTypes_xsd.tmp#id1256
Type RankingType
Properties
content: complex
minOccurs: 0
maxOccurs: unbounded
Attributes
QName Type Fixed Default Use Annotation
name required 
a string identifying this ranking index
Source
 
<xs:element name="r" type="ctypes:RankingType" minOccurs="0" maxOccurs="unbounded">
  <xs:annotation>
    <xs:documentation>A named ranking index for states of the same symmetry that can't be or haven't been differentiated any other way: r=1,2,... It is possible to have more than one r defining a state, but their name attributes have to be unique.</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:parity
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
Total parity with respect to inversion through the molecular centre of mass in the laboratory coordinate system
Diagram
Diagram commonTypes_xsd.tmp#id1275
Type PMParityType
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Facets
pattern \+|-
Source
 
<xs:element name="parity" type="ctypes:PMParityType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>Total parity with respect to inversion through the molecular centre of mass in the laboratory coordinate system</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:kronigParity
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
Kronig parity ('e' or 'f')
Diagram
Diagram commonTypes_xsd.tmp#id1277
Type EFParityType
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Facets
pattern e|f
Source
 
<xs:element name="kronigParity" type="ctypes:EFParityType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>Kronig parity ('e' or 'f')</xs:documentation>
  </xs:annotation>
</xs:element>
Element lpos:QNsType / lpos:asSym
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Annotations
 
Symmetry of the rovibronic wavefunction for diatomic molecules with a centre of inversion: a or s such that the total wavefunction including nuclear spin is symmetric or antisymmetric under permutation of the identical nuclei, according to whether they are bosons or fermions respectively.
Diagram
Diagram commonTypes_xsd.tmp#id1276
Type ASParityType
Properties
content: simple
minOccurs: 0
maxOccurs: 1
Facets
pattern a|s
Source
 
<xs:element name="asSym" type="ctypes:ASParityType" minOccurs="0" maxOccurs="1">
  <xs:annotation>
    <xs:documentation>Symmetry of the rovibronic wavefunction for diatomic molecules with a centre of inversion: a or s such that the total wavefunction including nuclear spin is symmetric or antisymmetric under permutation of the identical nuclei, according to whether they are bosons or fermions respectively.</xs:documentation>
  </xs:annotation>
</xs:element>
Complex Type lpos:QNsType
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Diagram
Diagram lpos_xsd.tmp#id1419 lpos_xsd.tmp#id1420 lpos_xsd.tmp#id1421 lpos_xsd.tmp#id1422 lpos_xsd.tmp#id1423 lpos_xsd.tmp#id1424 lpos_xsd.tmp#id1425 lpos_xsd.tmp#id1426 lpos_xsd.tmp#id1427 lpos_xsd.tmp#id1428 lpos_xsd.tmp#id1429 lpos_xsd.tmp#id1430 lpos_xsd.tmp#id1431 lpos_xsd.tmp#id1432 lpos_xsd.tmp#id1433 lpos_xsd.tmp#id1434 lpos_xsd.tmp#id1435 lpos_xsd.tmp#id1436 lpos_xsd.tmp#id1437
Used by
Element lpos:QNs
Model lpos:ElecStateLabel{0,1} , lpos:elecInv{0,1} , lpos:elecRefl{0,1} , lpos:Lambda{0,1} , lpos:S{0,1} , lpos:vi* , lpos:li* , lpos:l{0,1} , lpos:vibInv{0,1} , lpos:vibRefl{0,1} , lpos:J{0,1} , lpos:N{0,1} , lpos:I{0,1} , lpos:Fj* , lpos:F{0,1} , lpos:r* , lpos:parity{0,1} , lpos:kronigParity{0,1} , lpos:asSym{0,1}
Children lpos:ElecStateLabel, lpos:F, lpos:Fj, lpos:I, lpos:J, lpos:Lambda, lpos:N, lpos:S, lpos:asSym, lpos:elecInv, lpos:elecRefl, lpos:kronigParity, lpos:l, lpos:li, lpos:parity, lpos:r, lpos:vi, lpos:vibInv, lpos:vibRefl
Source
 
<xs:complexType name="QNsType">
  <xs:sequence>
    <!-- ElecStateLabel -->
    <xs:element name="ElecStateLabel" type="xs:string" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>The label of the electronic state: X, a, A, b, etc...</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- elecInv -->
    <xs:element name="elecInv" type="ctypes:UGParityType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>Parity of the electronic wavefunction with respect to inversion through the molecular centre of mass in the molecular coordinate system: 'g' or 'u'</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- elecRefl -->
    <xs:element name="elecRefl" type="ctypes:PMParityType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>Parity of the electronic wavefunction with respect to reflection in a plane containing the molecular symmetry axis in the molecular coordinate system: '+' or '-'</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- Lambda -->
    <xs:element name="Lambda" type="xs:nonNegativeInteger" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The magnitude of the projection of the total electronic orbital angular momentum onto the internuclear axis</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- S -->
    <xs:element name="S" type="ctypes:AMType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The total electronic spin angular momentum quantum number</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- vi -->
    <xs:element name="vi" type="ctypes:VibrationalQNType" minOccurs="0" maxOccurs="unbounded">
      <xs:annotation>
        <xs:documentation>A vibrational quantum number, v_i</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- li -->
    <xs:element name="li" type="ctypes:VibrationalAMQNType" minOccurs="0" maxOccurs="unbounded">
      <xs:annotation>
        <xs:documentation>A quantum number, l_i, associated with the vibrational angular momentum of the nu_i normal mode; l_i are not totally good quantum numbers - see e.g. Herzberg II, p.212</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- l -->
    <xs:element name="l" type="xs:integer" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>The quantum number, l, associated with the total vibrational angular momentum about the molecular axis</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- vibInv -->
    <xs:element name="vibInv" type="ctypes:UGParityType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>Parity of the vibronic wavefunction with respect to inversion through the molecular centre of mass in the molecular coordinate system: 'u' or 'g'</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- vibRefl -->
    <xs:element name="vibRefl" type="ctypes:PMParityType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>Parity of the vibronic wavefunction with respect to reflection in a plane containing the molecular symmetry axis in the molecular coordinate system: '+' or '-'</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- J -->
    <xs:element name="J" type="ctypes:AMType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>The rotational quantum number, J, associated with the total angular momentum excluding nuclear spin</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- N -->
    <xs:element name="N" type="xs:nonNegativeInteger" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The quantum number associated with the total angular momentum excluding electronic and nuclear spin: J = N + S</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- I -->
    <xs:element name="I" type="ctypes:CoupledNuclearSpinAMType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The quantum number associated with the total nuclear spin angular momentum resulting from the coupling of two or more individual nuclear spin angular momenta: I = I1 + I2 + ...</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- Fj -->
    <xs:element name="Fj" type="ctypes:NuclearSpinIntermediateAMType" minOccurs="0" maxOccurs="unbounded">
      <xs:annotation>
        <xs:documentation>The quantum number, F_j, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin (F_j may not be a good quantum number)</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- F -->
    <xs:element name="F" type="ctypes:NuclearSpinAMType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>The quantum number, F, associated with the total angular momentum including nuclear spin</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- r -->
    <xs:element name="r" type="ctypes:RankingType" minOccurs="0" maxOccurs="unbounded">
      <xs:annotation>
        <xs:documentation>A named ranking index for states of the same symmetry that can't be or haven't been differentiated any other way: r=1,2,... It is possible to have more than one r defining a state, but their name attributes have to be unique.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- parity -->
    <xs:element name="parity" type="ctypes:PMParityType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>Total parity with respect to inversion through the molecular centre of mass in the laboratory coordinate system</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- kronigParity -->
    <xs:element name="kronigParity" type="ctypes:EFParityType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>Kronig parity ('e' or 'f')</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- asSym -->
    <xs:element name="asSym" type="ctypes:ASParityType" minOccurs="0" maxOccurs="1">
      <xs:annotation>
        <xs:documentation>Symmetry of the rovibronic wavefunction for diatomic molecules with a centre of inversion: a or s such that the total wavefunction including nuclear spin is symmetric or antisymmetric under permutation of the identical nuclei, according to whether they are bosons or fermions respectively.</xs:documentation>
      </xs:annotation>
    </xs:element>
  </xs:sequence>
</xs:complexType>
Complex Type lpos:ThisCase
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Diagram
Diagram commonTypes_xsd.tmp#id592 commonTypes_xsd.tmp#id591 lpos_xsd.tmp#id1439
Type restriction of BaseCase
Type hierarchy
Properties
abstract: true
Used by
Complex Type lpos:Case
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string lpos required
Source
 
<xs:complexType name="ThisCase" abstract="true">
  <xs:complexContent>
    <xs:restriction base="ctypes:BaseCase">
      <xs:attribute name="caseID" type="xs:string" use="required" fixed="lpos"/>
    </xs:restriction>
  </xs:complexContent>
</xs:complexType>
Complex Type lpos:Case
Namespace http://vamdc.org/xml/xsams/1.0/cases/lpos
Diagram
Diagram commonTypes_xsd.tmp#id592 commonTypes_xsd.tmp#id591 lpos_xsd.tmp#id1439 lpos_xsd.tmp#id1438 lpos_xsd.tmp#id1417
Type extension of lpos:ThisCase
Type hierarchy
Model lpos:QNs
Children lpos:QNs
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string lpos required
Source
 
<xs:complexType name="Case">
  <xs:complexContent>
    <xs:extension base="lpos:ThisCase">
      <xs:sequence>
        <xs:element ref="lpos:QNs" minOccurs="1" maxOccurs="1"/>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Attribute lpos:ThisCase / @caseID
Namespace No namespace
Type xs:string
Properties
use: required
fixed: lpos
Used by
Complex Type lpos:ThisCase
Source
 
<xs:attribute name="caseID" type="xs:string" use="required" fixed="lpos"/>
XML Schema documentation generated by ® XML Editor.