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Attributes
Diagrams
Facets
Instances
Properties
Source
Used by
Imported schema ltos.xsd
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
Annotations
Schema for specifying the quantum numbers of open-shell linear triatomic molecules
Properties
attribute form default: unqualified
element form default: qualified
Element ltos:QNs
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
Annotations
A list of quantum numbers for linear triatomic, open-shell molecules
Diagram
Diagram ltos_xsd.tmp#id1425 ltos_xsd.tmp#id1426 ltos_xsd.tmp#id1427 ltos_xsd.tmp#id1428 ltos_xsd.tmp#id1429 ltos_xsd.tmp#id1430 ltos_xsd.tmp#id1431 ltos_xsd.tmp#id1432 ltos_xsd.tmp#id1433 ltos_xsd.tmp#id1434 ltos_xsd.tmp#id1435 ltos_xsd.tmp#id1436 ltos_xsd.tmp#id1437 ltos_xsd.tmp#id1438 ltos_xsd.tmp#id1439 ltos_xsd.tmp#id1424
Type ltos:QNsType
Properties
content: complex
Used by
Complex Type ltos:Case
Model ALL(ltos:ElecStateLabel{0,1} ltos:S{0,1} ltos:v1{0,1} ltos:v2{0,1} ltos:l2{0,1} ltos:v3{0,1} ltos:J{0,1} ltos:N{0,1} ltos:F1{0,1} ltos:F2{0,1} ltos:F{0,1} ltos:r{0,1} ltos:parity{0,1} ltos:kronigParity{0,1} ltos:asSym{0,1})
Children ltos:ElecStateLabel, ltos:F, ltos:F1, ltos:F2, ltos:J, ltos:N, ltos:S, ltos:asSym, ltos:kronigParity, ltos:l2, ltos:parity, ltos:r, ltos:v1, ltos:v2, ltos:v3
Instance
<ltos:QNs>
  <ltos:ElecStateLabel>{0,1}</ltos:ElecStateLabel>
  <ltos:S>{0,1}</ltos:S>
  <ltos:v1>{0,1}</ltos:v1>
  <ltos:v2>{0,1}</ltos:v2>
  <ltos:l2>{0,1}</ltos:l2>
  <ltos:v3>{0,1}</ltos:v3>
  <ltos:J>{0,1}</ltos:J>
  <ltos:N>{0,1}</ltos:N>
  <ltos:F1 nuclearSpinRef="">{0,1}</ltos:F1>
  <ltos:F2 nuclearSpinRef="">{0,1}</ltos:F2>
  <ltos:F nuclearSpinRef="">{0,1}</ltos:F>
  <ltos:r name="">{0,1}</ltos:r>
  <ltos:parity>{0,1}</ltos:parity>
  <ltos:kronigParity>{0,1}</ltos:kronigParity>
  <ltos:asSym>{0,1}</ltos:asSym>
</ltos:QNs>
Source
<xs:element name="QNs" type="ltos:QNsType">
  <xs:annotation>
    <xs:documentation>A list of quantum numbers for linear triatomic, open-shell molecules</xs:documentation>
  </xs:annotation>
</xs:element>
Element ltos:QNsType / ltos:ElecStateLabel
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:S
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:v1
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:v2
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:l2
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:v3
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:J
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:N
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:F1
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:F2
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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#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="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 ltos:QNsType / ltos:F
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:r
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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#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 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 ltos:QNsType / ltos:parity
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:kronigParity
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType / ltos:asSym
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
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 ltos:QNsType
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
Diagram
Diagram ltos_xsd.tmp#id1425 ltos_xsd.tmp#id1426 ltos_xsd.tmp#id1427 ltos_xsd.tmp#id1428 ltos_xsd.tmp#id1429 ltos_xsd.tmp#id1430 ltos_xsd.tmp#id1431 ltos_xsd.tmp#id1432 ltos_xsd.tmp#id1433 ltos_xsd.tmp#id1434 ltos_xsd.tmp#id1435 ltos_xsd.tmp#id1436 ltos_xsd.tmp#id1437 ltos_xsd.tmp#id1438 ltos_xsd.tmp#id1439
Used by
Element ltos:QNs
Model ALL(ltos:ElecStateLabel{0,1} ltos:S{0,1} ltos:v1{0,1} ltos:v2{0,1} ltos:l2{0,1} ltos:v3{0,1} ltos:J{0,1} ltos:N{0,1} ltos:F1{0,1} ltos:F2{0,1} ltos:F{0,1} ltos:r{0,1} ltos:parity{0,1} ltos:kronigParity{0,1} ltos:asSym{0,1})
Children ltos:ElecStateLabel, ltos:F, ltos:F1, ltos:F2, ltos:J, ltos:N, ltos:S, ltos:asSym, ltos:kronigParity, ltos:l2, ltos:parity, ltos:r, ltos:v1, ltos:v2, ltos:v3
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>
    <!-- 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>
    <!-- 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>
    <!-- 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>
    <!-- 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:all>
</xs:complexType>
Complex Type ltos:ThisCase
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
Diagram
Diagram commonTypes_xsd.tmp#id606 commonTypes_xsd.tmp#id605 ltos_xsd.tmp#id1441
Type restriction of BaseCase
Type hierarchy
Properties
abstract: true
Used by
Complex Type ltos:Case
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string ltos 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="ltos"/>
    </xs:restriction>
  </xs:complexContent>
</xs:complexType>
Complex Type ltos:Case
Namespace http://vamdc.org/xml/xsams/0.2/cases/ltos
Diagram
Diagram commonTypes_xsd.tmp#id606 commonTypes_xsd.tmp#id605 ltos_xsd.tmp#id1441 ltos_xsd.tmp#id1440 ltos_xsd.tmp#id1423
Type extension of ltos:ThisCase
Type hierarchy
Model ltos:QNs
Children ltos:QNs
Attributes
QName Type Fixed Default Use Annotation
caseID xs:string ltos required
Source
<xs:complexType name="Case">
  <xs:complexContent>
    <xs:extension base="ltos:ThisCase">
      <xs:sequence>
        <xs:element ref="ltos:QNs" minOccurs="1" maxOccurs="1"/>
      </xs:sequence>
    </xs:extension>
  </xs:complexContent>
</xs:complexType>
Attribute ltos:ThisCase / @caseID
Namespace No namespace
Type xs:string
Properties
use: required
fixed: ltos
Used by
Complex Type ltos:ThisCase
Source
<xs:attribute name="caseID" type="xs:string" use="required" fixed="ltos"/>