EFFECTIVE HAMILTONIAN METHOD FOR ENVIRONMENTAL-EFFECTS

被引：3

作者：

HUZINAGA, S

KATSUKI, S

MATSUOKA, O

机构：

[1] KYUSHU UNIV,COLL GEN EDUC,DEPT PHYS,FUKUOKA 812,JAPAN

[2] UNIV ELECTROCOMMUN,DEPT PHYS,CHOFU,TOKYO 182,JAPAN

来源：

JOURNAL OF MATHEMATICAL CHEMISTRY | 1992年 / 10卷 / 1-4期

关键词：

D O I：

10.1007/BF01169169

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Some novel physical ideas and mathematical techniques are described, useful in the development of effective Hamiltonian methods for studying molecular environmental effects.

引用

页码：25 / 39

页数：15

共 12 条

[1] THE ABINITIO MODEL POTENTIAL REPRESENTATION OF THE CRYSTALLINE ENVIRONMENT - THEORETICAL-STUDY OF THE LOCAL DISTORTION ON NACL-CU+ [J].

BARANDIARAN, Z ;

SEIJO, L .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (09) :5739-5746

[2]

BARANDIARAN Z, 1990, J CHEM PHYS, V93, P5834

[3]

BARANDIARAN Z, IN PRESS STRUCTURE I, V3

[4]

Huzinaga, 1991, J MOL STRUC-THEOCHEM, V234, P51

[5] AN EFFECTIVE HAMILTONIAN METHOD FOR VALENCE-ELECTRON MOLECULAR CALCULATIONS [J].

KATSUKI, S ;

HUZINAGA, S .

CHEMICAL PHYSICS LETTERS, 1988, 152 (2-3) :203-206

[6]

KATSUKI S, 1988, CHEM PHYS LETT, V147, P587

[7] TOWARDS A CHEMICAL HAMILTONIAN [J].

MAYER, I .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (02) :341-363

[8] NEW GENERAL METHODOLOGY FOR DERIVING TRANSFERABLE ATOMIC POTENTIALS IN MOLECULES [J].

NICOLAS, G ;

DURAND, P .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (04) :2020-2021

[9] NEW GENERAL METHODOLOGY FOR DERIVING EFFECTIVE-HAMILTONIANS FOR ATOMS AND MOLECULES - APPLICATION TO THE TRANSFERABILITY OF ATOMIC POTENTIALS IN THE HYDROCARBON SERIES [J].

NICOLAS, G ;

DURAND, P .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) :453-463

[10] THE ABINITIO MODEL POTENTIAL METHOD - 1ST SERIES TRANSITION-METAL ELEMENTS [J].

SEIJO, L ;

BARANDIARAN, Z ;

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (11) :7011-7017

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