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Attributes
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Facets
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Properties
Source
Used by
Imported schema ltcs.xsd
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Annotations
 
Schema for specifying the quantum numbers of closed-shell linear triatomic molecules
Properties
attribute form default: unqualified
element form default: qualified
Element ltcs:QNs
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Annotations
 
A list of quantum numbers for linear triatomic, closed-shell molecules
Diagram
Diagram ltcs_xsd.tmp#id1443 ltcs_xsd.tmp#id1444 ltcs_xsd.tmp#id1445 ltcs_xsd.tmp#id1446 ltcs_xsd.tmp#id1447 ltcs_xsd.tmp#id1448 ltcs_xsd.tmp#id1449 ltcs_xsd.tmp#id1450 ltcs_xsd.tmp#id1451 ltcs_xsd.tmp#id1452 ltcs_xsd.tmp#id1453 ltcs_xsd.tmp#id1454 ltcs_xsd.tmp#id1455 ltcs_xsd.tmp#id1456 ltcs_xsd.tmp#id1442
Type ltcs:QNsType
Properties
content: complex
Used by
Complex Type ltcs:Case
Model ltcs:ElecStateLabel{0,1} , ltcs:v1{0,1} , ltcs:v2{0,1} , ltcs:l2{0,1} , ltcs:v3{0,1} , ltcs:J{0,1} , ltcs:I{0,1} , ltcs:F1{0,1} , ltcs:F2{0,1} , ltcs:F{0,1} , ltcs:r{0,1} , ltcs:parity{0,1} , ltcs:kronigParity{0,1} , ltcs:asSym{0,1}
Children ltcs:ElecStateLabel, ltcs:F, ltcs:F1, ltcs:F2, ltcs:I, ltcs:J, ltcs:asSym, ltcs:kronigParity, ltcs:l2, ltcs:parity, ltcs:r, ltcs:v1, ltcs:v2, ltcs:v3
Instance
 
<ltcs:QNs>
  <ltcs:ElecStateLabel>{0,1}</ltcs:ElecStateLabel>
  <ltcs:v1>{0,1}</ltcs:v1>
  <ltcs:v2>{0,1}</ltcs:v2>
  <ltcs:l2>{0,1}</ltcs:l2>
  <ltcs:v3>{0,1}</ltcs:v3>
  <ltcs:J>{0,1}</ltcs:J>
  <ltcs:I id="" nuclearSpinRef="">{0,1}</ltcs:I>
  <ltcs:F1 nuclearSpinRef="">{0,1}</ltcs:F1>
  <ltcs:F2 nuclearSpinRef="">{0,1}</ltcs:F2>
  <ltcs:F nuclearSpinRef="">{0,1}</ltcs:F>
  <ltcs:r name="">{0,1}</ltcs:r>
  <ltcs:parity>{0,1}</ltcs:parity>
  <ltcs:kronigParity>{0,1}</ltcs:kronigParity>
  <ltcs:asSym>{0,1}</ltcs:asSym>
</ltcs:QNs>
Source
 
<xs:element name="QNs" type="ltcs:QNsType">
  <xs:annotation>
    <xs:documentation>A list of quantum numbers for linear triatomic, closed-shell molecules</xs:documentation>
  </xs:annotation>
</xs:element>
Element ltcs:QNsType / ltcs:ElecStateLabel
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
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 ltcs:QNsType / ltcs:v1
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Annotations
 
The vibrational quantum number, v1
Diagram
Diagram
Type xs:nonNegativeInteger
Properties
content: simple
minOccurs: 0
Source
 
<xs:element name="v1" type="xs:nonNegativeInteger" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The vibrational quantum number, v1</xs:documentation>
  </xs:annotation>
</xs:element>
Element ltcs:QNsType / ltcs:v2
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Annotations
 
The vibrational quantum number, v2
Diagram
Diagram
Type xs:nonNegativeInteger
Properties
content: simple
minOccurs: 0
Source
 
<xs:element name="v2" type="xs:nonNegativeInteger" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The vibrational quantum number, v2</xs:documentation>
  </xs:annotation>
</xs:element>
Element ltcs:QNsType / ltcs:l2
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Annotations
 
The quantum number, l2, associated with the vibrational angular momentum of the nu2 bending mode
Diagram
Diagram
Type xs:nonNegativeInteger
Properties
content: simple
minOccurs: 0
Source
 
<xs:element name="l2" type="xs:nonNegativeInteger" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The quantum number, l2, associated with the vibrational angular momentum of the nu2 bending mode</xs:documentation>
  </xs:annotation>
</xs:element>
Element ltcs:QNsType / ltcs:v3
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Annotations
 
The vibrational quantum number, v3
Diagram
Diagram
Type xs:nonNegativeInteger
Properties
content: simple
minOccurs: 0
Source
 
<xs:element name="v3" type="xs:nonNegativeInteger" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The vibrational quantum number, v3</xs:documentation>
  </xs:annotation>
</xs:element>
Element ltcs:QNsType / ltcs:J
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
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 ltcs:QNsType / ltcs:I
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Annotations
 
The quantum number associated with the total nuclear spin angular momentum resulting from the coupling of two 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 individual nuclear spin angular momenta: I = I1 + I2</xs:documentation>
  </xs:annotation>
</xs:element>
Element ltcs:QNsType / ltcs:F1
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
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#id1262 commonTypes_xsd.tmp#id1266 commonTypes_xsd.tmp#id1265
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 ltcs:QNsType / ltcs:F2
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Annotations
 
The quantum number, F2, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin. F2 may not be a good quantum number.
Diagram
Diagram commonTypes_xsd.tmp#id1262 commonTypes_xsd.tmp#id1266 commonTypes_xsd.tmp#id1265
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="F2" type="ctypes:NuclearSpinAMType" minOccurs="0">
  <xs:annotation>
    <xs:documentation>The quantum number, F2, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin. F2 may not be a good quantum number.</xs:documentation>
  </xs:annotation>
</xs:element>
Element ltcs:QNsType / ltcs:F
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
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
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 ltcs:QNsType / ltcs:r
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Annotations
 
A ranking index for states of the same symmetry that can't be or haven't been differentiated any other way: r=1,2,...
Diagram
Diagram commonTypes_xsd.tmp#id1257 commonTypes_xsd.tmp#id1256
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 ranking index for states of the same symmetry that can't be or haven't been differentiated any other way: r=1,2,...</xs:documentation>
  </xs:annotation>
</xs:element>
Element ltcs:QNsType / ltcs:parity
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
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
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 ltcs:QNsType / ltcs:kronigParity
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
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 ltcs:QNsType / ltcs:asSym
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
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 ltcs:QNsType
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Diagram
Diagram ltcs_xsd.tmp#id1443 ltcs_xsd.tmp#id1444 ltcs_xsd.tmp#id1445 ltcs_xsd.tmp#id1446 ltcs_xsd.tmp#id1447 ltcs_xsd.tmp#id1448 ltcs_xsd.tmp#id1449 ltcs_xsd.tmp#id1450 ltcs_xsd.tmp#id1451 ltcs_xsd.tmp#id1452 ltcs_xsd.tmp#id1453 ltcs_xsd.tmp#id1454 ltcs_xsd.tmp#id1455 ltcs_xsd.tmp#id1456
Used by
Element ltcs:QNs
Model ltcs:ElecStateLabel{0,1} , ltcs:v1{0,1} , ltcs:v2{0,1} , ltcs:l2{0,1} , ltcs:v3{0,1} , ltcs:J{0,1} , ltcs:I{0,1} , ltcs:F1{0,1} , ltcs:F2{0,1} , ltcs:F{0,1} , ltcs:r{0,1} , ltcs:parity{0,1} , ltcs:kronigParity{0,1} , ltcs:asSym{0,1}
Children ltcs:ElecStateLabel, ltcs:F, ltcs:F1, ltcs:F2, ltcs:I, ltcs:J, ltcs:asSym, ltcs:kronigParity, ltcs:l2, ltcs:parity, ltcs:r, ltcs:v1, ltcs:v2, ltcs:v3
Source
 
<xs:complexType name="QNsType">
  <xs:sequence>
    <!-- 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>
    <!-- v1 -->
    <xs:element name="v1" type="xs:nonNegativeInteger" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The vibrational quantum number, v1</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- v2 -->
    <xs:element name="v2" type="xs:nonNegativeInteger" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The vibrational quantum number, v2</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- l2 -->
    <xs:element name="l2" type="xs:nonNegativeInteger" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The quantum number, l2, associated with the vibrational angular momentum of the nu2 bending mode</xs:documentation>
      </xs:annotation>
    </xs:element>
    <!-- v3 -->
    <xs:element name="v3" type="xs:nonNegativeInteger" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The vibrational quantum number, v3</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>
    <!-- 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 individual nuclear spin angular momenta: I = I1 + I2</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>
    <!-- F2 -->
    <xs:element name="F2" type="ctypes:NuclearSpinAMType" minOccurs="0">
      <xs:annotation>
        <xs:documentation>The quantum number, F2, associated with the intermediate angular momentum due to coupling the rotational angular momentum with one nuclear spin. F2 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 ranking index for states of the same symmetry that can't be or haven't been differentiated any other way: r=1,2,...</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:sequence>
</xs:complexType>
Complex Type ltcs:ThisCase
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Diagram
Diagram commonTypes_xsd.tmp#id592 commonTypes_xsd.tmp#id591 ltcs_xsd.tmp#id1458
Type restriction of BaseCase
Type hierarchy
Properties
abstract: true
Used by
Complex Type ltcs:Case
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string ltcs 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="ltcs"/>
    </xs:restriction>
  </xs:complexContent>
</xs:complexType>
Complex Type ltcs:Case
Namespace http://vamdc.org/xml/xsams/1.0/cases/ltcs
Diagram
Diagram commonTypes_xsd.tmp#id592 commonTypes_xsd.tmp#id591 ltcs_xsd.tmp#id1458 ltcs_xsd.tmp#id1457 ltcs_xsd.tmp#id1441
Type extension of ltcs:ThisCase
Type hierarchy
Model ltcs:QNs
Children ltcs:QNs
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string ltcs required
Source
 
<xs:complexType name="Case">
  <xs:complexContent>
    <xs:extension base="ltcs:ThisCase">
      <xs:sequence>
        <xs:element ref="ltcs:QNs" minOccurs="1" maxOccurs="1"/>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Attribute ltcs:ThisCase / @caseID
Namespace No namespace
Type xs:string
Properties
use: required
fixed: ltcs
Used by
Complex Type ltcs:ThisCase
Source
 
<xs:attribute name="caseID" type="xs:string" use="required" fixed="ltcs"/>
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