SYSTEMATIC CONSTRUCTION OF CORRELATED MANY-PARTICLE INTEGRAL-TRANSFORM TRIAL FUNCTIONS AND MULTICENTER MOLECULAR ORBITALS

被引：19

作者：

SOMORJAI, RL

机构：

[1] Division of Pure Chemistry, National Research Council of Canada, Ottawa, Ont.

来源：

PHYSICAL REVIEW LETTERS | 1969年 / 23卷 / 06期

关键词：

D O I：

10.1103/PhysRevLett.23.329

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A systematic approach to the construction of new types of correlated many-particle trial functions is outlined. It is based on the formalism of a special type of multidimensional integral transformation, and combines a conceptually simple geometrical interpretation with computational practicability and the possibility of classifying the correlated wave functions in a simple manner. The approach is applicable to the formation of new, multicenter molecular orbitals as well. © 1969 The American Physical Society.

引用

页码：329 / &

共 11 条

[1] BISHOP DM, TO BE PUBLISHED
[2] BRINK DM, 1960, PROGR NUCL PHYS, V8, P97
[3] FRISCH OR, 1960, PROGRESS NUCLEAR ED, V8, P97
[4] GELFAND, 1964, GENERALIZED FUNCTION, V1, P348
[5] GELFAND, 1964, GENERALIZED FUNCTION, V1, P209
[6] GELFAND IM, 1964, GEN FUNCTIONS, V1, P34
[7] GELFAND IM, 1966, GEN FUNCT, V5, pCH1
[8] Slater transform functions. Another class of approximate wave functions
Shillady, D. D.
[J]. CHEMICAL PHYSICS LETTERS, 1969, 3 (01) : 17 - 19
[9] Slater transform functions. Application to the helium atom ground state
Shillady, D. D.
[J]. CHEMICAL PHYSICS LETTERS, 1969, 3 (02) : 104 - 106
[10] Somorjai RL, 1968, CHEM PHYS LETT, V2, P399, DOI 10.1016/0009-2614(68)80037-5

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