MOLECULAR ELECTRIC POLARIZABILITIES - ELECTRIC-FIELD-VARIANT (EFV) GAUSSIAN BASIS SET FOR POLARIZABILITY CALCULATIONS

被引：170

作者：

SADLEJ, AJ ^{[1
]}

机构：

[1] POLISH ACAD SCI,INST ORGAN CHEM,PL-00961 WARSAW,POLAND

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 47卷 / 01期

关键词：

D O I：

10.1016/0009-2614(77)85304-9

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：50 / 54

页数：5

共 30 条

[1] APPELMAN BR, 1974, J CHEM PHYSICS, V60, P2574
[2] ELECTRIC DIPOLE POLARIZABILITY OF ATOMS BY HARTREE-FOCK METHOD .I. THEORY FOR CLOSED-SHELL SYSTEMS
COHEN, HD
ROOTHAAN, CC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) : S034 - +
[3] SELF-CONSISTENT PERTURBATION THEORY .I. GENERAL FORMULATION AND SOME APPLICATIONS
DIERCKSEN, G
MCWEENY, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) : 3554 - +
[4] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) : 724 - +
[5] SELF-CONSISTENT PERTURBATION-THEORY OF DIAMAGNETISM .1. GAUGE-INVARIANT LCAO METHOD FOR NMR CHEMICAL-SHIFTS
DITCHFIELD, R
[J]. MOLECULAR PHYSICS, 1974, 27 (04) : 789 - 807
[6] FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I.
GERRATT, J
MILLS, IM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (04) : 1719 - &
[7] CALCULATIONS OF HARTREE-FOCK POLARIZABILITIES FOR SOME SIMPLE ATOMS AND MOLECULES, AND THEIR PRACTICALITY
GUTSCHICK, VP
MCKOY, V
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (06) : 2397 - 2401
[8] AB-INITIO CALCULATION OF MAGNETIC SHIELDING WITH A FINITE PERTURBATION METHOD
HLADNIK, M
PUMPERNIK, D
ZAUCER, M
AZMAN, A
[J]. CHEMICAL PHYSICS LETTERS, 1976, 42 (02) : 361 - 363
[9] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .I.
HUZINAGA, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (04) : 1293 - &
[10] THEORY OF NUCLEAR MAGNETIC SHIELDING IN DIATOMIC MOLECULES
KOLKER, HJ
KARPLUS, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (05) : 1259 - &

← 1 2 3 →