Published 1983
| Version v1
Book
Potential constants and molecular electro-optical parameters
Creators
Description
A review and analysis of the main quantum-mechanical calculation methods of certain physical properties of small molecules-methods, based on solution of the Schroedinger equation in different approximations to the wave function, which are used nowadays, are presented. Nonempirical variants of calculation of potential constantse polarizabilities, derivatives of dipolar momentum and polarizabilities according to generalized nuclear coordinates have been considered. The accUracy of the results and a perspective to increase it are evaluated. Tables of the most interesting calculation results from the viewpoint of their applicability and principle use are given
Additional details
Additional titles
- Original title (Russian)
- Потенциальные постоянные и электрооптические параметры молекул
Publishing Information
- Publisher
- Ehnergoatomizdat.
- Imprint Place
- Moscow (USSR)
- Imprint Pagination
- 168 p.
INIS
- Country of Publication
- USSR
- Country of Input or Organization
- USSR
- INIS RN
- 15057206
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Resource subtype / Literary indicator
- Numerical Data
- Descriptors DEI
- ELECTRIC DIPOLE MOMENTS; FINITE DIFFERENCE METHOD; GREEN FUNCTION; HAMILTONIANS; HARTREE-FOCK METHOD; LCAO METHOD; LEAST SQUARE FIT; MOLECULES; NEWTON METHOD; PERTURBATION THEORY; POLARIZABILITY; POLYNOMIALS; POTENTIALS; REVIEWS; SCHROEDINGER EQUATION; SELF-CONSISTENT FIELD; THEORETICAL DATA; VIRIAL THEOREM
- Descriptors DEC
- DATA; DIFFERENTIAL EQUATIONS; DIPOLE MOMENTS; DOCUMENT TYPES; ELECTRIC MOMENTS; ELECTRICAL PROPERTIES; EQUATIONS; FUNCTIONS; INFORMATION; ITERATIVE METHODS; MATHEMATICAL OPERATORS; MAXIMUM-LIKELIHOOD FIT; NUMERICAL DATA; NUMERICAL SOLUTION; PARTIAL DIFFERENTIAL EQUATIONS; PHYSICAL PROPERTIES; QUANTUM OPERATORS; WAVE EQUATIONS
Optional Information
- Notes
- 107 refs.; 3 figs.; 58 tabs.