On a variational method for calculating excited-state wavefunctions

被引：5

作者：

Cohen, Maurice ^{[1
]}

Feldmann, Tova ^{[1
]}

机构：

[1] Hebrew Univ Jerusalem, Dept Phys Chem, IL-91904 Jerusalem, Israel

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 6卷 / 01期

关键词：

D O I：

10.1016/0009-2614(70)80071-9

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：

A variational method for calculating an approximate excited-state wavefunction which has maximum overlap with the corresponding exact wavefunction. recently employed by Messmer. is rederived from a generalization of the classical procedure of Weinstein. The method requires knowledge of the appropriate exact energy level. hut no explicit constraints are required in the variation process.

引用

页码：43 / 45

页数：3

共 6 条

[1] LOWER BOUNDS TO EIGENVALUES
COHEN, M
FELDMANN, T
[J]. CANADIAN JOURNAL OF PHYSICS, 1969, 47 (17) : 1877 - &
[2] The theory and calculation of screening constants
Eckart, C
[J]. PHYSICAL REVIEW, 1930, 36 (05): : 0878 - 0892
[3] ON A VARIATIONAL METHOD FOR DETERMINING EXCITED STATE WAVE FUNCTIONS
MESSMER, RP
[J]. THEORETICA CHIMICA ACTA, 1969, 14 (04): : 319 - &
[4] A lower limit for the theoretical energy of the normal state of helium
Stevenson, AF
Crawford, MF
[J]. PHYSICAL REVIEW, 1938, 54 (05): : 375 - 379
[5] The theory of Rayleigh's principle as applied to continuous systems
Temple, G
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-CONTAINING PAPERS OF A MATHEMATICAL AND PHYSICAL CHARACTER, 1928, 119 (782) : 276 - 293
[6] Hodified Ritz method
Weinstein, DH
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1934, 20 : 529 - 532

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