NUCLEAR-QUADRUPOLE MOMENT OF LITHIUM FROM COMBINED FULLY NUMERICAL AND DISCRETE BASIS-SET CALCULATIONS ON LIH

被引:91
作者
SUNDHOLM, D
PYYKKO, P
LAAKSONEN, L
SADLEJ, AJ
机构
[1] UNIV OXFORD,DEPT THEORET CHEM,OXFORD OX1 3TG,ENGLAND
[2] UNIV LUND,CTR CHEM,S-22007 LUND 7,SWEDEN
关键词
D O I
10.1016/0009-2614(84)87030-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
收藏
页码:1 / 9
页数:9
相关论文
共 58 条
[21]   ELECTRONIC STRUCTURE OF LIH AND QUADRUPOLE MOMENT OF LI7 [J].
KAHALAS, SL ;
NESBET, RK .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (03) :529-&
[22]   CHARGE FORM-FACTOR OF LI-7 WITH RESONATING-GROUP WAVEFUNCTION [J].
KANADA, H ;
LIU, QKK ;
TANG, YC .
PHYSICAL REVIEW C, 1980, 22 (02) :813-822
[23]   GROUND-STATE DIPOLE POLARIZABILITY OF LITHIUM HYDRIDE - ACCURATE SCF AND CAS SCF CALCULATIONS [J].
KARLSTROM, G ;
ROOS, BO ;
SADLEJ, AJ .
CHEMICAL PHYSICS LETTERS, 1982, 86 (04) :374-379
[24]   TWO-DIMENSIONAL FULLY NUMERICAL-SOLUTIONS OF MOLECULAR HARTREE-FOCK EQUATIONS - LIH AND BH [J].
LAAKSONEN, L ;
PYYKKO, P ;
SUNDHOLM, D .
CHEMICAL PHYSICS LETTERS, 1983, 96 (01) :1-3
[25]   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+ [J].
LAAKSONEN, L ;
PYYKKO, P ;
SUNDHOLM, D .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (01) :319-323
[26]   TWO-DIMENSIONAL FULLY NUMERICAL MC-SCF CALCULATIONS ON H-2 AND LIH - THE DIPOLE-MOMENT OF LIH [J].
LAAKSONEN, L ;
SUNDHOLM, D ;
PYYKKO, P .
CHEMICAL PHYSICS LETTERS, 1984, 105 (06) :573-576
[27]   TWO-DIMENSIONAL FULLY NUMERICAL-SOLUTIONS OF MOLECULAR SCHRODINGER-EQUATIONS .1. ONE-ELECTRON MOLECULES [J].
LAAKSONEN, L ;
PYYKKO, P ;
SUNDHOLM, D .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1983, 23 (01) :309-317
[28]  
LAAKSONEN L, UNPUB INT J QUANTUM
[30]   BOND LENGTH DEPENDENCE OF THE ELECTRIC PROPERTIES OF LITHIUM HYDRIDE [J].
LAZZERETTI, P ;
ROSSI, E ;
ZANASI, R .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1982, 15 (04) :521-526