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Annotations
Attributes
Diagrams
Facets
Instances
Properties
Source
Used by
Imported schema dcs.xsd
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
Annotations
Schema for specifying the quantum numbers of closed-shell, diatomic molecules
Properties
attribute form default: unqualified
element form default: qualified
Element dcs:QNs
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
Diagram
Diagram dcs_xsd.tmp#id1302 dcs_xsd.tmp#id1303 dcs_xsd.tmp#id1304 dcs_xsd.tmp#id1305 dcs_xsd.tmp#id1306 dcs_xsd.tmp#id1307 dcs_xsd.tmp#id1308 dcs_xsd.tmp#id1309 dcs_xsd.tmp#id1301
Type dcs:QNsType
Properties
content: complex
Used by
Complex Type dcs:Case
Model ALL(dcs:ElecStateLabel{0,1} dcs:v{0,1} dcs:J{0,1} dcs:F1{0,1} dcs:F{0,1} dcs:r{0,1} dcs:parity{0,1} dcs:asSym{0,1})
Children dcs:ElecStateLabel, dcs:F, dcs:F1, dcs:J, dcs:asSym, dcs:parity, dcs:r, dcs:v
Instance
<dcs:QNs>
  <dcs:ElecStateLabel>{0,1}</dcs:ElecStateLabel>
  <dcs:v>{0,1}</dcs:v>
  <dcs:J>{0,1}</dcs:J>
  <dcs:F1 nuclearSpinRef="">{0,1}</dcs:F1>
  <dcs:F nuclearSpinRef="">{0,1}</dcs:F>
  <dcs:r name="">{0,1}</dcs:r>
  <dcs:parity>{0,1}</dcs:parity>
  <dcs:asSym>{0,1}</dcs:asSym>
</dcs:QNs>
Source
<xs:element name="QNs" type="dcs:QNsType"/>
Element dcs:QNsType / dcs:ElecStateLabel
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
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 dcs:QNsType / dcs:v
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
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 dcs:QNsType / dcs:J
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
Annotations
The rotational quantum number, J, associated with the total angular momentum excluding nuclear spin
Diagram
Diagram
Type xs:nonNegativeInteger
Properties
content: simple
minOccurs: 0
Source
<xs:element name="J" type="xs:nonNegativeInteger" 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 dcs:QNsType / dcs:F1
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
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#id1237 commonTypes_xsd.tmp#id1238 commonTypes_xsd.tmp#id1236
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 dcs:QNsType / dcs:F
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
Annotations
The quantum number, F, associated with the total angular momentum including nuclear spin
Diagram
Diagram commonTypes_xsd.tmp#id1237 commonTypes_xsd.tmp#id1238 commonTypes_xsd.tmp#id1236
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 dcs:QNsType / dcs:r
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
Annotations
A named, positive integer label identifying the state if no other good quantum numbers or symmetries are known.
Diagram
Diagram commonTypes_xsd.tmp#id1235 commonTypes_xsd.tmp#id1234
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 dcs:QNsType / dcs:parity
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
Annotations
Total parity with respect to inversion through the molecular centre of mass in the laboratory coordinate system
Diagram
Diagram commonTypes_xsd.tmp#id1247
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 dcs:QNsType / dcs:asSym
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
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#id1248
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 dcs:ThisCase
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
Diagram
Diagram commonTypes_xsd.tmp#id595 commonTypes_xsd.tmp#id594 dcs_xsd.tmp#id1298
Type restriction of BaseCase
Type hierarchy
Properties
abstract: true
Used by
Complex Type dcs:Case
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string dcs 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="dcs"/>
    </xs:restriction>
  </xs:complexContent>
</xs:complexType>
Complex Type dcs:Case
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
Diagram
Diagram commonTypes_xsd.tmp#id595 commonTypes_xsd.tmp#id594 dcs_xsd.tmp#id1298 dcs_xsd.tmp#id1297 dcs_xsd.tmp#id1300
Type extension of dcs:ThisCase
Type hierarchy
Model dcs:QNs
Children dcs:QNs
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string dcs required
Source
<xs:complexType name="Case">
  <xs:complexContent>
    <xs:extension base="dcs:ThisCase">
      <xs:sequence>
        <xs:element ref="dcs:QNs" minOccurs="1" maxOccurs="1"/>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Complex Type dcs:QNsType
Namespace http://vamdc.org/xml/xsams/0.3/cases/dcs
Annotations
A list of quantum numbers for diatomic, closed-shell molecules
Diagram
Diagram dcs_xsd.tmp#id1302 dcs_xsd.tmp#id1303 dcs_xsd.tmp#id1304 dcs_xsd.tmp#id1305 dcs_xsd.tmp#id1306 dcs_xsd.tmp#id1307 dcs_xsd.tmp#id1308 dcs_xsd.tmp#id1309
Used by
Element dcs:QNs
Model ALL(dcs:ElecStateLabel{0,1} dcs:v{0,1} dcs:J{0,1} dcs:F1{0,1} dcs:F{0,1} dcs:r{0,1} dcs:parity{0,1} dcs:asSym{0,1})
Children dcs:ElecStateLabel, dcs:F, dcs:F1, dcs:J, dcs:asSym, dcs:parity, dcs:r, dcs:v
Source
<xs:complexType name="QNsType">
  <xs:annotation>
    <xs:documentation>A list of quantum numbers for diatomic, closed-shell molecules</xs:documentation>
  </xs:annotation>
  <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>
    <!-- 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="xs:nonNegativeInteger" 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>
    <!-- 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>
Attribute dcs:ThisCase / @caseID
Namespace No namespace
Type xs:string
Properties
use: required
fixed: dcs
Used by
Complex Type dcs:ThisCase
Source
<xs:attribute name="caseID" type="xs:string" use="required" fixed="dcs"/>