APPLICATION OF EFFECTIVE HAMILTONIAN THEORY TO THE METHOD OF DIATOMICS-IN-MOLECULES

被引：23

作者：

GADEA, FX ^{[1
]}

KUNTZ, PJ ^{[1
]}

机构：

[1] HAHN MEITNER INST KERNFORSCH BERLIN GMBH,BEREICH STRAHLENCHEM,D-1000 BERLIN 39,FED REP GER

来源：

MOLECULAR PHYSICS | 1988年 / 63卷 / 01期

关键词：

D O I：

10.1080/00268978800100031

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：

引用

页码：27 / 31

页数：5

共 18 条

[1] EXTENSION DUNE FORMULE DE LAGRANGE A DES PROBLEMES DE VALEURS PROPRES [J].

DESCLOIZEAUX, J .

NUCLEAR PHYSICS, 1960, 20 (03) :321-346

[2] AN ABINITIO DESCRIPTION OF THE EXCITED-STATES OF THE REACTION O(3P, 1D) + H2-]OH(2PI,2SIGMA+) + H - AN ATTEMPT TO DESCRIBE SEVERAL POTENTIAL-ENERGY SURFACES WITH CONSTANT ACCURACY [J].

DURAND, G ;

CHAPUISAT, X .

CHEMICAL PHYSICS, 1985, 96 (03) :381-407

[3] A METHOD OF DIATOMICS IN MOLECULES .1. GENERAL THEORY AND APPLICATION TO H2O [J].

ELLISON, FO .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (22) :3540-&

[4] SYMMETRY BETWEEN MODEL SPACE AND TARGET SPACE IN EFFECTIVE-HAMILTONIAN THEORY [J].

GADEA, FX .

PHYSICAL REVIEW A, 1987, 36 (06) :2557-2565

[5] ON THE FINE-STRUCTURE DEPENDENCE OF THE CS(7P,2P1/2,3/2(0)+H-2-]CSH+H REACTION CROSS-SECTION [J].

GADEA, FX ;

DURUP, J .

CHEMICAL PHYSICS LETTERS, 1987, 138 (01) :43-48

[6] THEORETICAL-STUDY OF AN UNUSUAL REACTIVE COLLISION CS(7P)+H2-]CSH+H - DIABATIC APPROACH OF THE COLLINEAR COLLISION POTENTIAL-ENERGY SURFACES [J].

GADEA, FX ;

SPIEGELMANN, F ;

PELISSIER, M ;

MALRIEU, JP .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (09) :4872-4881

[7] A SYSTEMATIC PROCEDURE FOR EXTRACTING FRAGMENT MATRICES FOR THE METHOD OF DIATOMICS-IN-MOLECULES FROM ABINITIO CALCULATIONS ON DIATOMICS [J].

KUNTZ, PJ ;

SCHREIBER, JL .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (08) :4120-4129

[8] DIATOMICS-IN-MOLECULES FRAGMENT MATRICES SUITABLE FOR APPLICATION TO LARGE MOLECULES [J].

KUNTZ, PJ .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1986, 19 (12) :1731-1742

[9]

KUNTZ PJ, 1983, CHEM PHYS, V75, P79, DOI 10.1016/0301-0104(83)85009-5

[10]

KUNTZ PJ, 1979, ATOM MOL COLLISION T

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