TWO-DIMENSIONAL FULLY NUMERICAL-SOLUTIONS OF MOLECULAR DIRAC EQUATIONS - ONE-ELECTRON MOLECULES

被引：29

作者：

LAAKSONEN, L

GRANT, IP

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1984年 / 109卷 / 05期

关键词：

D O I：

10.1016/0009-2614(84)80348-6

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

收藏

页码：485 / 487

页数：3

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共 14 条

[1] RELATIVISTIC CORRECTIONS FOR H2+ AND ITS ISOTOPES
BISHOP, DM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (08) : 3842 - 3843
[2] DAVYDOV AS, 1976, QUANTUM MECHANICS, P261
[3] THE DIRAC-EQUATION IN THE ALGEBRAIC-APPROXIMATION .2. EXTENDED BASIS SET CALCULATIONS FOR HYDROGENIC ATOMS
DYALL, KG
GRANT, IP
WILSON, S
[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1984, 17 (07) : 1201 - 1209
[4] THE DIRAC-EQUATION IN THE ALGEBRAIC-APPROXIMATION .1. CRITERIA FOR THE CHOICE OF BASIS FUNCTIONS AND MINIMUM BASIS SET CALCULATIONS FOR HYDROGENIC ATOMS
DYALL, KG
GRANT, IP
WILSON, S
[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1984, 17 (02) : L45 - L50
[5] CONDITIONS FOR CONVERGENCE OF VARIATIONAL SOLUTIONS OF DIRACS EQUATION IN A FINITE BASIS
GRANT, IP
[J]. PHYSICAL REVIEW A, 1982, 25 (02): : 1230 - 1232
[6] TWO-DIMENSIONAL FULLY NUMERICAL-SOLUTIONS OF MOLECULAR HARTREE-FOCK EQUATIONS - LIH AND BH
LAAKSONEN, L
PYYKKO, P
SUNDHOLM, D
[J]. CHEMICAL PHYSICS LETTERS, 1983, 96 (01) : 1 - 3
[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 MC-SCF CALCULATIONS ON H-2 AND LIH - THE DIPOLE-MOMENT OF LIH
LAAKSONEN, L
SUNDHOLM, D
PYYKKO, P
[J]. CHEMICAL PHYSICS LETTERS, 1984, 105 (06) : 573 - 576
[9] 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
[10] LAAKSONEN L, UNPUB