The label of the electronic state: X, a, A, b, etc...
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>
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.
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>
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>
<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>
<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>
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: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: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>