HAM-3, A SEMIEMPIRICAL MO THEORY .I. SCF METHOD

被引：186

作者：

ASBRINK, L ^{[1
]}

FRIDH, C ^{[1
]}

LINDHOLM, E ^{[1
]}

机构：

[1] ROYAL INST TECHNOL,DEPT PHYS,S-10044 STOCKHOLM 70,SWEDEN

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 52卷 / 01期

关键词：

D O I：

10.1016/0009-2614(77)85121-X

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：63 / 68

页数：6

共 22 条

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ANNO, T .

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[2] INTERPRETATION OF PHOTOELECTRON SPECTRA OF HYDROCARBONS BY USE OF A SEMIEMPIRICAL CALCULATION [J].

ASBRINK, L ;

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JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (15) :5501-&

[3] ELECTRONIC-STRUCTURE OF TOLUENE FROM PHOTOELECTRON SPECTROSCOPY AND A SPINDO CALCULATION [J].

ASBRINK, L ;

LINDHOLM, E ;

FRIDH, C .

CHEMICAL PHYSICS LETTERS, 1972, 15 (04) :567-&

[4] HAM-3, A SEMIEMPIRICAL MO THEORY .2. PHOTOELECTRON-SPECTRA [J].

ASBRINK, L ;

FRIDH, C ;

LINDHOLM, E .

CHEMICAL PHYSICS LETTERS, 1977, 52 (01) :69-71

[5] HAM-3, A SEMIEMPIRICAL MO THEORY .3. UNOCCUPIED ORBITALS [J].

ASBRINK, L ;

FRIDH, C ;

LINDHOLM, E .

CHEMICAL PHYSICS LETTERS, 1977, 52 (01) :72-75

[6]

ASBRINK L, 1974, CHEMICAL SPECTROSCOP

[7] OPTIMUM ATOMIC ORBITALS FOR MOLECULAR CALCULATIONS - REVIEW [J].

BURDEN, FR .

ADVANCES IN PHYSICS, 1972, 21 (94) :825-915

[8] STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .17. ANALYSIS OF FORMATION OF ACETYLENE, ETHYLENE, AND ETHANE MOLECULES IN HARTREE-FOCK MODEL [J].

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JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4870-&

[9] GROUND STATES OF SIGMA-BONDED MOLECULES .9. MINDO-2 METHOD [J].

DEWAR, MJS ;

HASELBAC.E .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (03) :590-+

[10] MODIFICATION OF INDO FOR INTERPRETATION OF PHOTOELECTRON SPECTRA [J].

FRIDH, C ;

ASBRINK, L ;

LINDHOLM, E .

CHEMICAL PHYSICS LETTERS, 1972, 15 (02) :282-&

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