SEMI-CLASSICAL SELF-CONSISTENT FIELD (SC SCF) APPROXIMATION FOR EIGENVALUES OF COUPLED-VIBRATION SYSTEMS

被引：242

作者：

GERBER, RB ^{[1
]}

RATNER, MA ^{[1
]}

机构：

[1] HEBREW UNIV JERUSALEM,INST ADV STUDIES,JERUSALEM 91000,ISRAEL

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 68卷 / 01期

关键词：

D O I：

10.1016/0009-2614(79)80099-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The self-consistent-field (SCF) approximation for coupled-vibron systems in the semiclassical limit yields Hartree-type equations, in which only the eigenenergies and turning points are self-consistently evaluated. Calculations yield vibrational energies in excellent agreement with quantum SCF and exact quantum results. Applications and extensions are briefly discussed. © 1979.

引用

页码：195 / 198

页数：4

共 19 条

[1]

[Anonymous], 1978, ADV CHEM PHYS, DOI 10.1002/9780470142561.ch6

[2] SELF-CONSISTENT FIELD ENERGIES AND WAVEFUNCTIONS FOR COUPLED OSCILLATORS [J].

BOWMAN, JM .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (02) :608-610

[3] APPLICATION OF SCF-SI THEORY TO VIBRATIONAL MOTION IN POLYATOMIC-MOLECULES [J].

BOWMAN, JM ;

CHRISTOFFEL, K ;

TOBIN, F .

JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (08) :905-912

[4] SEMICLASSICAL EIGENVALUES FOR NONSEPARABLE SYSTEMS - NONPERTURBATIVE SOLUTION OF HAMILTON-JACOBI EQUATION IN ACTION-ANGLE VARIABLES [J].

CHAPMAN, S ;

GARRETT, BC ;

MILLER, WH .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (02) :502-509

[5]

Child MS., 1974, MOL COLLISION THEORY

[6]

CHILD MS, UNPUBLISHED

[7] APPROXIMATE AND EXACT QUANTUM-MECHANICAL ENERGIES AND EIGENFUNCTIONS FOR A SYSTEM OF COUPLED OSCILLATORS [J].

COHEN, M ;

GREITA, S ;

MCEACHRAN, RP .

CHEMICAL PHYSICS LETTERS, 1979, 60 (03) :445-450

[8]

COULSON CA, 1949, PHILOS MAG, V40, P386

[9] SEMICLASSICAL CALCULATION OF ENERGY-LEVELS FOR NON-SEPARABLE SYSTEMS [J].

DELOS, JB ;

SWIMM, RT .

CHEMICAL PHYSICS LETTERS, 1977, 47 (01) :76-79

[10] SEMICLASSICAL CALCULATION OF BOUND-STATES OF A MULTIDIMENSIONAL SYSTEM [J].

EASTES, W ;

MARCUS, RA .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (10) :4301-4306

← 1 2 →