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Attributes
Diagrams
Facets
Instances
Properties
Source
Used by
Imported schema hunda.xsd
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
Schema for specifying the quantum numbers for Hund's case (a) diatomic molecules
Properties
attribute form default: unqualified
element form default: qualified
Element hunda:QNs
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
A list of quantum numbers for Hund's case (a) diatomic molecules
Diagram
Diagram hunda_xsd.tmp#id1331 hunda_xsd.tmp#id1332 hunda_xsd.tmp#id1333 hunda_xsd.tmp#id1334 hunda_xsd.tmp#id1335 hunda_xsd.tmp#id1336 hunda_xsd.tmp#id1337 hunda_xsd.tmp#id1338 hunda_xsd.tmp#id1339 hunda_xsd.tmp#id1340 hunda_xsd.tmp#id1341 hunda_xsd.tmp#id1342 hunda_xsd.tmp#id1343 hunda_xsd.tmp#id1330
Type hunda:QNsType
Properties
content: complex
Used by
Complex Type hunda:Case
Model ALL(hunda:ElecStateLabel{0,1} hunda:Lambda{0,1} hunda:Sigma{0,1} hunda:Omega{0,1} hunda:S{0,1} hunda:v{0,1} hunda:J{0,1} hunda:F1{0,1} hunda:F{0,1} hunda:r{0,1} hunda:parity{0,1} hunda:kronigParity{0,1} hunda:asSym{0,1})
Children hunda:ElecStateLabel, hunda:F, hunda:F1, hunda:J, hunda:Lambda, hunda:Omega, hunda:S, hunda:Sigma, hunda:asSym, hunda:kronigParity, hunda:parity, hunda:r, hunda:v
Instance
<hunda:QNs>
  <hunda:ElecStateLabel>{0,1}</hunda:ElecStateLabel>
  <hunda:Lambda>{0,1}</hunda:Lambda>
  <hunda:Sigma>{0,1}</hunda:Sigma>
  <hunda:Omega>{0,1}</hunda:Omega>
  <hunda:S>{0,1}</hunda:S>
  <hunda:v>{0,1}</hunda:v>
  <hunda:J>{0,1}</hunda:J>
  <hunda:F1 nuclearSpinRef="">{0,1}</hunda:F1>
  <hunda:F nuclearSpinRef="">{0,1}</hunda:F>
  <hunda:r name="">{0,1}</hunda:r>
  <hunda:parity>{0,1}</hunda:parity>
  <hunda:kronigParity>{0,1}</hunda:kronigParity>
  <hunda:asSym>{0,1}</hunda:asSym>
</hunda:QNs>
Source
<xs:element name="QNs" type="hunda:QNsType">
  <xs:annotation>
    <xs:documentation>A list of quantum numbers for Hund's case (a) diatomic molecules</xs:documentation>
  </xs:annotation>
</xs:element>
Element hunda:QNsType / hunda:ElecStateLabel
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
The label of the electronic state: X, a, A, b, etc...
Diagram
Diagram
Type xs:string
Properties
content: simple
minOccurs: 0
Source
<xs:element name="ElecStateLabel" type="xs:string" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The label of the electronic state: X, a, A, b, etc...</xs:documentation>
  </xs:annotation>
</xs:element>
Element hunda:QNsType / hunda:Lambda
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
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 hunda:QNsType / hunda:Sigma
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
The magnitude of the projection of the total electronic spin angular momentum onto the internuclear axis
Diagram
Diagram commonTypes_xsd.tmp#id1245
Type AMType
Properties
content: simple
minOccurs: 0
Facets
pattern \d+(\.[0|5]?)?
Source
<xs:element name="Sigma" type="ctypes:AMType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The magnitude of the projection of the total electronic spin angular momentum onto the internuclear axis</xs:documentation>
  </xs:annotation>
</xs:element>
Element hunda:QNsType / hunda:Omega
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
The magnitude of the projection of the total electronic angular momentum onto the internuclear axis
Diagram
Diagram commonTypes_xsd.tmp#id1245
Type AMType
Properties
content: simple
minOccurs: 0
Facets
pattern \d+(\.[0|5]?)?
Source
<xs:element name="Omega" type="ctypes:AMType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The magnitude of the projection of the total electronic angular momentum onto the internuclear axis</xs:documentation>
  </xs:annotation>
</xs:element>
Element hunda:QNsType / hunda:S
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
The total electronic spin angular momentum quantum number
Diagram
Diagram commonTypes_xsd.tmp#id1245
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 hunda:QNsType / hunda:v
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
The vibrational quantum number, v
Diagram
Diagram
Type xs:nonNegativeInteger
Properties
content: simple
minOccurs: 0
Source
<xs:element name="v" type="xs:nonNegativeInteger" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The vibrational quantum number, v</xs:documentation>
  </xs:annotation>
</xs:element>
Element hunda:QNsType / hunda:J
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
The rotational quantum number, J, associated with the total angular momentum excluding nuclear spin
Diagram
Diagram commonTypes_xsd.tmp#id1245
Type AMType
Properties
content: simple
minOccurs: 0
Facets
pattern \d+(\.[0|5]?)?
Source
<xs:element name="J" type="ctypes:AMType" minOccurs="0">
  <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 hunda:QNsType / hunda:F1
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
The quantum number, F1, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin. F1 may not be a good quantum number.
Diagram
Diagram commonTypes_xsd.tmp#id1245 commonTypes_xsd.tmp#id1246 commonTypes_xsd.tmp#id1244
Type NuclearSpinAMType
Type hierarchy
Properties
content: complex
minOccurs: 0
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="F1" type="ctypes:NuclearSpinAMType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The quantum number, F1, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin. F1 may not be a good quantum number.</xs:documentation>
  </xs:annotation>
</xs:element>
Element hunda:QNsType / hunda:F
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
The quantum number, F, associated with the total angular momentum including nuclear spin
Diagram
Diagram commonTypes_xsd.tmp#id1245 commonTypes_xsd.tmp#id1246 commonTypes_xsd.tmp#id1244
Type NuclearSpinAMType
Type hierarchy
Properties
content: complex
minOccurs: 0
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">
  <xs:annotation>
    <xs:documentation>The quantum number, F, associated with the total angular momentum including nuclear spin</xs:documentation>
  </xs:annotation>
</xs:element>
Element hunda:QNsType / hunda:r
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
A named, positive integer label identifying the state if no other good quantum numbers or symmetries are known.
Diagram
Diagram commonTypes_xsd.tmp#id1243 commonTypes_xsd.tmp#id1242
Type RankingType
Properties
content: complex
minOccurs: 0
maxOccurs: 1
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="1">
  <xs:annotation>
    <xs:documentation>A named, positive integer label identifying the state if no other good quantum numbers or symmetries are known.</xs:documentation>
  </xs:annotation>
</xs:element>
Element hunda:QNsType / hunda:parity
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
Total parity with respect to inversion through the molecular centre of mass in the laboratory coordinate system
Diagram
Diagram commonTypes_xsd.tmp#id1255
Type PMParityType
Properties
content: simple
minOccurs: 0
Facets
pattern \+|-
Source
<xs:element name="parity" type="ctypes:PMParityType" minOccurs="0">
  <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 hunda:QNsType / hunda:kronigParity
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Annotations
Kronig parity ('e' or 'f')
Diagram
Diagram commonTypes_xsd.tmp#id1257
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 hunda:QNsType / hunda:asSym
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
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#id1256
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 hunda:QNsType
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Diagram
Diagram hunda_xsd.tmp#id1331 hunda_xsd.tmp#id1332 hunda_xsd.tmp#id1333 hunda_xsd.tmp#id1334 hunda_xsd.tmp#id1335 hunda_xsd.tmp#id1336 hunda_xsd.tmp#id1337 hunda_xsd.tmp#id1338 hunda_xsd.tmp#id1339 hunda_xsd.tmp#id1340 hunda_xsd.tmp#id1341 hunda_xsd.tmp#id1342 hunda_xsd.tmp#id1343
Used by
Element hunda:QNs
Model ALL(hunda:ElecStateLabel{0,1} hunda:Lambda{0,1} hunda:Sigma{0,1} hunda:Omega{0,1} hunda:S{0,1} hunda:v{0,1} hunda:J{0,1} hunda:F1{0,1} hunda:F{0,1} hunda:r{0,1} hunda:parity{0,1} hunda:kronigParity{0,1} hunda:asSym{0,1})
Children hunda:ElecStateLabel, hunda:F, hunda:F1, hunda:J, hunda:Lambda, hunda:Omega, hunda:S, hunda:Sigma, hunda:asSym, hunda:kronigParity, hunda:parity, hunda:r, hunda:v
Source
<xs:complexType name="QNsType">
  <xs:all>
    <!-- ElecStateLabel -->
    <xs:element name="ElecStateLabel" type="xs:string" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The label of the electronic state: X, a, A, b, etc...</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>
    <!-- Sigma -->
    <xs:element name="Sigma" type="ctypes:AMType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The magnitude of the projection of the total electronic spin angular momentum onto the internuclear axis</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- Omega -->
    <xs:element name="Omega" type="ctypes:AMType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The magnitude of the projection of the total electronic 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>
    <!-- v -->
    <xs:element name="v" type="xs:nonNegativeInteger" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The vibrational quantum number, v</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- J -->
    <xs:element name="J" type="ctypes:AMType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The rotational quantum number, J, associated with the total angular momentum excluding nuclear spin</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- F1 -->
    <xs:element name="F1" type="ctypes:NuclearSpinAMType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The quantum number, F1, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin. F1 may not be a good quantum number.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- F -->
    <xs:element name="F" type="ctypes:NuclearSpinAMType" minOccurs="0">
      <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="1">
      <xs:annotation>
        <xs:documentation>A named, positive integer label identifying the state if no other good quantum numbers or symmetries are known.</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- parity -->
    <xs:element name="parity" type="ctypes:PMParityType" minOccurs="0">
      <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:all>
</xs:complexType>
Complex Type hunda:ThisCase
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Diagram
Diagram commonTypes_xsd.tmp#id606 commonTypes_xsd.tmp#id605 hunda_xsd.tmp#id1345
Type restriction of BaseCase
Type hierarchy
Properties
abstract: true
Used by
Complex Type hunda:Case
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string hunda 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="hunda"/>
    </xs:restriction>
  </xs:complexContent>
</xs:complexType>
Complex Type hunda:Case
Namespace http://vamdc.org/xml/xsams/0.2/cases/hunda
Diagram
Diagram commonTypes_xsd.tmp#id606 commonTypes_xsd.tmp#id605 hunda_xsd.tmp#id1345 hunda_xsd.tmp#id1344 hunda_xsd.tmp#id1329
Type extension of hunda:ThisCase
Type hierarchy
Model hunda:QNs
Children hunda:QNs
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string hunda required
Source
<xs:complexType name="Case">
  <xs:complexContent>
    <xs:extension base="hunda:ThisCase">
      <xs:sequence>
        <xs:element ref="hunda:QNs" minOccurs="1" maxOccurs="1"/>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Attribute hunda:ThisCase / @caseID
Namespace No namespace
Type xs:string
Properties
use: required
fixed: hunda
Used by
Complex Type hunda:ThisCase
Source
<xs:attribute name="caseID" type="xs:string" use="required" fixed="hunda"/>