APPLICATIONS OF A SIMPLE MOLECULAR WAVEFUNCTION .11. EXTENSION OF FSGO METHOD TO OPEN-SHELL TREATMENTS

被引：9

作者：

PAKIARI, AH ^{[1
]}

LINNETT, JW ^{[1
]}

机构：

[1] UNIV CAMBRIDGE,DEPT PHYS CHEM,CAMBRIDGE CB2 1EP,ENGLAND

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1976年 / 72卷

关键词：

D O I：

10.1039/f29767200641

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：641 / 645

页数：5

共 16 条

[1] SINGLE DETERMINANT WAVE FUNCTIONS [J].

AMOS, AT ;

HALL, GG .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+

[2] APPLICATIONS OF A SIMPLE MOLECULAR WAVEFUNCTION .6. FSGO OPEN-SHELL CALCULATIONS ON FIRST-ROW DIATOMIC MOLECULAR SYSTEMS [J].

BLUSTIN, PH ;

LINNETT, JW .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1974, 70 (05) :826-836

[3]

CHRISTOFFERSEN RE, 1972, ADV QUANTUM CHEM, V6

[4] FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .9. DIATOMIC MOLECULES OF FIRST-ROW AND SECOND-ROW ATOMS [J].

CHU, SY ;

FROST, AA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :764-&

[5]

EYRING H, 1961, QUANTUM CHEMISTRY, P232

[6]

Ford B., 1970, International Journal of Quantum Chemistry, V4, P533, DOI 10.1002/qua.560040508

[7] FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .I. COMPUTATIONAL PROCEDURE . LIH AS AN EXAMPLE [J].

FROST, AA .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) :3707-&

[8]

KOTANI M, 1961, QUANTUM MECHANICS EL

[9] THE MOLECULAR ORBITAL THEORY OF CHEMICAL VALENCY .1. THE DETERMINATION OF MOLECULAR ORBITALS [J].

LENNARDJONES, J .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1949, 198 (1052) :1-13

[10]

Lowdin P.-O., 1964, ADV QUANTUM CHEM, V1, P59

← 1 2 →