NUMERICAL MCSCF STUDY OF THE TOTAL (ELECTRONIC AND NUCLEAR) PARALLEL POLARIZABILITY AND HYPERPOLARIZABILITY FOR THE H2, HD AND D2 MOLECULES

被引:9
作者
ADAMOWICZ, L
机构
关键词
D O I
10.1080/00268978800101591
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:1047 / 1056
页数:10
相关论文
共 19 条
[1]   A NUMERICAL MULTICONFIGURATION SELF-CONSISTENT-FIELD METHOD FOR DIATOMIC-MOLECULES [J].
ADAMOWICZ, L ;
MCCULLOUGH, EA .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (05) :2475-2476
[2]   NUMERICAL COUPLED HARTREE-FOCK STUDY OF THE TOTAL (ELECTRONIC AND NUCLEAR) PARALLEL POLARIZABILITY AND HYPERPOLARIZABILITY FOR THE FH, H2+, HD+, AND D2+ MOLECULES [J].
ADAMOWICZ, L ;
BARTLETT, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (09) :4988-4991
[3]   MOLECULAR HYPERPOLARIZABILITIES .1. THEORETICAL CALCULATIONS INCLUDING CORRELATION [J].
BARTLETT, RJ ;
PURVIS, GD .
PHYSICAL REVIEW A, 1979, 20 (04) :1313-1322
[4]   DIPOLE POLARIZABILITY FORMULAS [J].
BISHOP, D ;
CHEUNG, LM ;
BUCKINGHAM, AD .
MOLECULAR PHYSICS, 1980, 41 (05) :1225-1226
[5]   DYNAMIC DIPOLE POLARIZABILITY OF H-2 AND HEH+ [J].
BISHOP, DM ;
CHEUNG, LM .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (09) :5125-5132
[6]   THE STARK-EFFECT AND POLARIZABILITIES FOR A DIATOMIC MOLECULE [J].
BISHOP, DM ;
LAM, B ;
EPSTEIN, ST .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (01) :337-341
[7]   METHODS FOR INTRODUCING VIBRATIONAL EFFECTS IN THE CALCULATION OF ELECTRIC-DIPOLE POLARIZABILITIES AND HYPERPOLARIZABILITIES (WITH REFERENCE TO H-2+) [J].
BISHOP, DM ;
PIPIN, J ;
SILVERMAN, JN .
MOLECULAR PHYSICS, 1986, 59 (02) :165-172
[8]  
BISHOP DM, 1986, PHYS REV LETT, V55, P2627
[9]   STARK-EFFECT, POLARIZABILITIES AND THE ELECTRIC-DIPOLE MOMENT OF HETERONUCLEAR DIATOMIC-MOLECULES IN 1-SIGMA-STATES [J].
BRIEGER, M .
CHEMICAL PHYSICS, 1984, 89 (02) :275-295
[10]   COUPLED HARTREE-FOCK HYPERPOLARIZABILITIES OF FH AND THE BASIS SET DEPENDENCY PROBLEM [J].
CHRISTIANSEN, PA ;
MCCULLOUGH, EA .
CHEMICAL PHYSICS LETTERS, 1979, 63 (03) :570-573