CONFIGURATION INTERACTION CALCULATION OF POTENTIAL-ENERGY SURFACE OF LI3

被引：54

作者：

KENDRICK, J ^{[1
]}

HILLIER, IH ^{[1
]}

机构：

[1] UNIV MANCHESTER,DEPT CHEM,MANCHESTER M13 9PL,LANCASHIRE,ENGLAND

来源：

MOLECULAR PHYSICS | 1977年 / 33卷 / 03期

关键词：

D O I：

10.1080/00268977700100591

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：635 / 640

页数：6

共 14 条

[1] APPLICATIONS OF DIATOMICS-IN-MOLECULES THEORY .2. PREDICTION OF A STABLE LI3 MOLECULE
COMPANION, AL
STEIBLE, DJ
STARSHAK, AJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) : 3637 - +
[2] EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2
DAS, G
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) : 87 - &
[3] AB-INITIO RESTRICTED HARTREE-FOCK AND CONFIGURATION INTERACTION CALCULATIONS FOR LI3
DAVIES, DW
DELCONDE, G
[J]. CHEMICAL PHYSICS, 1976, 12 (01) : 45 - 49
[4] MOLECULAR-BEAM SCATTERING - REACTIVE SCATTERING - GENERAL DISCUSSION
DAVIES, DW
CONDE, GD
LIN, SM
GRICE, R
MCDONALD, JD
POLANYI, JC
SCHREIBE.JL
DIXON, DA
KING, DL
HERSCHBA.DR
CHEUNG, JT
MARCUS, RA
PARSON, JM
SHOBATAK.K
LEE, YT
RICE, SA
CARTER, CF
LEVY, MR
WOODALL, KB
WONG, YC
LEE, YT
PARRISH, DD
HUNTER, G
[J]. FARADAY DISCUSSIONS, 1973, 55 : 369 - 388
[5] GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2.
HUZINAGA, S
SAKAI, Y
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (03) : 1371 - &
[6] KENDRICK J, 1976, THESIS U MANCHESTER
[7] INTERACTION ENERGIES AND TRANSPORT COEFFICIENTS OF LI+H AND O+H GAS MIXTURES AT HIGH TEMPERATURES
KRUPENIE, PH
VANDERSLICE, JT
MASON, EA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (10) : 2399 - &
[8] BRILLOUINS THEOREM IN ROOTHAANS OPEN-SHELL SCF METHOD
MANNE, R
[J]. MOLECULAR PHYSICS, 1972, 24 (05) : 935 - +
[9] SUMMARY OF LCAO COMPUTATIONS OF ENERGY AND ELECTRONIC STRUCTURES OF MOLECULE LI2 IN GROUND STATE AND IN SOME EXCITED STATES
MANNEBACK, C
[J]. PHYSICA, 1963, 29 (07): : 769 - &
[10] POTENTIAL ENERGY SURFACE FOR H3
PORTER, RN
KARPLUS, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (04) : 1105 - &

← 1 2 →