R12-DEPENDENT TERMS IN THE WAVE-FUNCTION AS CLOSED SUMS OF PARTIAL-WAVE AMPLITUDES FOR LARGE-L

被引：519

作者：

KUTZELNIGG, W

机构：

来源：

THEORETICA CHIMICA ACTA | 1985年 / 68卷 / 06期

关键词：

D O I：

10.1007/BF00527669

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：445 / 469

页数：25

共 69 条

[1] PERTURBATION CALCULATION OF MOLECULAR CORRELATION ENERGY USING GAUSSIAN-TYPE GEMINALS - 2ND-ORDER PAIR ENERGIES OF LIH AND BH [J].

ADAMOWICZ, L ;

SADLEJ, AJ .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (09) :3992-4000

[2]

ADAMOWICZ L, 1977, J CHEM PHYS, V67, P4298, DOI 10.1063/1.435370

[3] DIRECT CALCULATION OF APPROXIMATE NATURAL ORBITALS AND NATURAL EXPANSION COEFFICIENTS OF ATOMIC AND MOLECULAR ELECTRONIC WAVEFUNCTIONS .2. DECOUPLING OF PAIR EQUATIONS AND CALCULATION OF PAIR CORRELATION ENERGIES FOR BE AND LIH GROUND STATES [J].

AHLRICHS, R ;

KUTZELNI.W .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (04) :1819-&

[4] NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE [J].

BENDER, CF ;

DAVIDSON, ER .

JOURNAL OF PHYSICAL CHEMISTRY, 1966, 70 (08) :2675-&

[5] 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-&

[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, P ROY SOC A, V309, P195

[9] ELECTRONIC WAVE FUNCTIONS FOR ATOM .2. SOME ASPECTS OF CONVERGENCE OF CONFIGURATION INTERACTION EXPANSION FOR GROUND STATES OF HE ISOELECTRONIC SERIES [J].

BUNGE, CF .

THEORETICA CHIMICA ACTA, 1970, 16 (02) :126-&

[10] CORRELATION EFFECTS IN ATOMS .2. ANGULAR CORRELATIONS BETWEEN ELECTRONS [J].

BYRON, FW ;

JOACHAIN, CJ .

PHYSICAL REVIEW, 1967, 157 (01) :1-&

← 1 2 3 4 5 6 7 →