Effect of nonadiabaticity on the vibronic spectra of molecules
Journal Article
·
· J. Appl. Spectrosc. (Engl. Transl.); (United States)
The authors construct a quantum atomic model of a polyatomic molecule based on data obtained for water and formaldehyde in order to determine the effect of nonadiabaticity on energy of the vibrational states and transitions occurring within the molecule along with the nonadiabatic mixing of the wave functions of the adiabatic vibrational states.
- OSTI ID:
- 5830194
- Journal Information:
- J. Appl. Spectrosc. (Engl. Transl.); (United States), Journal Name: J. Appl. Spectrosc. (Engl. Transl.); (United States) Vol. 46:2; ISSN JASYA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ALDEHYDES
ATOMIC MODELS
CHARGE DISTRIBUTION
COMPUTERIZED SIMULATION
CONFIGURATION INTERACTION
COUPLING CONSTANTS
DIPOLE MOMENTS
ELECTRONIC STRUCTURE
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
FORMALDEHYDE
FUNCTIONS
GROUND STATES
HAMILTONIANS
HYDROGEN COMPOUNDS
MATHEMATICAL MODELS
MATHEMATICAL OPERATORS
MATRIX ELEMENTS
MECHANICS
MOLECULES
ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
POLYATOMIC MOLECULES
QUANTUM MECHANICS
QUANTUM NUMBERS
QUANTUM OPERATORS
SIMULATION
SPECTRA
TEMPERATURE EFFECTS
VIBRATIONAL STATES
WATER
WAVE FUNCTIONS
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ALDEHYDES
ATOMIC MODELS
CHARGE DISTRIBUTION
COMPUTERIZED SIMULATION
CONFIGURATION INTERACTION
COUPLING CONSTANTS
DIPOLE MOMENTS
ELECTRONIC STRUCTURE
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
FORMALDEHYDE
FUNCTIONS
GROUND STATES
HAMILTONIANS
HYDROGEN COMPOUNDS
MATHEMATICAL MODELS
MATHEMATICAL OPERATORS
MATRIX ELEMENTS
MECHANICS
MOLECULES
ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
POLYATOMIC MOLECULES
QUANTUM MECHANICS
QUANTUM NUMBERS
QUANTUM OPERATORS
SIMULATION
SPECTRA
TEMPERATURE EFFECTS
VIBRATIONAL STATES
WATER
WAVE FUNCTIONS