TWO-DIMENSIONAL FULLY NUMERICAL-SOLUTIONS OF MOLECULAR HARTREE-FOCK EQUATIONS - LIH AND BH

被引：55

作者：

LAAKSONEN, L ^{[1
]}

PYYKKO, P ^{[1
]}

SUNDHOLM, D ^{[1
]}

机构：

[1] SWEDISH UNIV ABO,DEPT PHYS CHEM,SF-20500 ABO 50,FINLAND

来源：

CHEMICAL PHYSICS LETTERS | 1983年 / 96卷 / 01期

关键词：

D O I：

10.1016/0009-2614(83)80104-3

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：1 / 3

页数：3

共 12 条

[1] NUMERICAL HARTREE-FOCK-SLATER CALCULATIONS ON DIATOMIC-MOLECULES
BECKE, AD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) : 6037 - 6045
[2] Cade P. E., 1973, Atomic Data and Nuclear Data Tables, V12, P415, DOI 10.1016/0092-640X(73)90002-8
[3] ELECTRIC DIPOLE MOMENT FOR FIRST- AND 2ND-ROW DIATOMIC HYDRIDE MOLECULES AH
CADE, PE
HUO, WM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (03) : 1063 - &
[4] GAUSSIAN BASIS SETS FOR POLARIZABILITY CALCULATIONS
CHRISTIANSEN, PA
MCCULLOUGH, EA
[J]. CHEMICAL PHYSICS LETTERS, 1978, 55 (03) : 439 - 442
[5] ACCURATE ORBITAL AMPLITUDES AT NUCLEI FROM GAUSSIAN BASIS SETS
CHRISTIANSEN, PA
MCCULLOUGH, EA
[J]. CHEMICAL PHYSICS LETTERS, 1978, 56 (03) : 484 - 489
[6] Fischer C. Froese, 1977, HARTREE FOCK METHOD
[7] TWO-DIMENSIONAL FULLY NUMERICAL-SOLUTIONS OF MOLECULAR SCHRODINGER-EQUATIONS .2. SOLUTION OF THE POISSON EQUATION AND RESULTS FOR SINGLET-STATES OF H-2 AND HEH+
LAAKSONEN, L
PYYKKO, P
SUNDHOLM, D
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (01) : 319 - 323
[8] TWO-DIMENSIONAL FULLY NUMERICAL-SOLUTIONS OF MOLECULAR SCHRODINGER-EQUATIONS .1. ONE-ELECTRON MOLECULES
LAAKSONEN, L
PYYKKO, P
SUNDHOLM, D
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (01) : 309 - 317
[9] A NEW POSSIBILITY OF CHEMICAL BONDING - VIBRATIONAL STABILIZATION OF IHI
MANZ, J
MEYER, R
POLLAK, E
ROMELT, J
[J]. CHEMICAL PHYSICS LETTERS, 1982, 93 (02) : 184 - 187
[10] PARTIAL-WAVE SELF-CONSISTENT-FIELD METHOD FOR DIATOMIC-MOLECULES - COMPUTATIONAL FORMALISM AND RESULTS FOR SMALL MOLECULES
MCCULLOUGH, EA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (10) : 3991 - 3999

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