EXAMINATION OF ACCURACY OF SOME TRANSCORRELATED WAVEFUNCTIONS FOR HYDROGEN MOLECULE

被引：10

作者：

ARMOUR, EAG ^{[1
]}

机构：

[1] UNIV KANSAS,DEPT CHEM,LAWRENCE,KS 66044

来源：

MOLECULAR PHYSICS | 1973年 / 26卷 / 05期

关键词：

D O I：

10.1080/00268977300102321

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：1093 / 1103

页数：11

共 14 条

[1] APPLICATION OF A TRANSCORRELATED PROCEDURE TO CALCULATION OF ENERGY OF HYDROGEN MOLECULE [J].

ARMOUR, EAG .

MOLECULAR PHYSICS, 1972, 24 (01) :181-&

[2] CONVERGENCE OF LOWEST EIGENVALUE OF A REAL NEARLY-SYMMETRIC MATRIX [J].

ARMOUR, EAG .

MOLECULAR PHYSICS, 1972, 24 (01) :163-&

[3] DETERMINATION OF ENERGIES AND WAVEFUNCTIONS WITH FULL ELECTRONIC CORRELATION [J].

BOYS, SF ;

HANDY, NC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 310 (1500) :43-&

[4] SOME BILINEAR CONVERGENCE CHARACTERISTICS OF SOLUTIONS OF DISSYMMETRIC SECULAR EQUATIONS [J].

BOYS, SF .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 309 (1497) :195-&

[5] A CONDITION TO REMOVE INDETERMINACY IN INTERELECTRONIC CORRELATION FUNCTIONS [J].

BOYS, SF ;

HANDY, NC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 309 (1497) :209-&

[6] A CALCULATION FOR ENERGIES AND WAVEFUNCTIONS FOR STATES OF NEON WITH FULL ELECTRONIC CORRELATION ACCURACY [J].

BOYS, SF ;

HANDY, NC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 310 (1500) :63-&

[7] A FIRST SOLUTION, FOR LIH, OF A MOLECULAR TRANSCORRELATED WAVE EQUATION BY MEANS OF RESTRICTED NUMERICAL INTEGRATION [J].

BOYS, SF ;

HANDY, NC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1969, 311 (1505) :309-&

[8]

BOYS SF, 1968, FARADAY SOC S, V2, P95

[9] MOLECULAR SCHRODINGER EQUATION .8. A NEW METHOD FOR EVALUATION OF MULTIDIMENSIONAL INTEGRALS [J].

CONROY, H .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (12) :5307-&

[10] MINIMIZATION OF VARIANCE OF TRANSCORRELATED HAMILTONIAN [J].

HANDY, NC .

MOLECULAR PHYSICS, 1971, 21 (05) :817-&

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