COMMENTS ON PARAMETERIZED LCAO SURFACE CALCULATIONS

被引：0

作者：

DEMPSEY, DG ^{[1
]}

KLEINMAN, L ^{[1
]}

机构：

[1] UNIV TEXAS,AUSTIN,TX 78712

来源：

BULLETIN OF THE AMERICAN PHYSICAL SOCIETY | 1978年 / 23卷 / 03期

关键词：

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：258 / 258

页数：1

共 50 条

[41] The electronic structure of Be and BeO: benchmark EMS measurements and LCAO calculations
de Bas, BS
Dorsett, HE
Ford, MJ
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2003, 64 (03) : 495 - 505
[42] EXTENDED LCAO-METHOD (H2+ CALCULATIONS)
VESELOV, MG
REKASHOVA, TN
VESTNIK LENINGRADSKOGO UNIVERSITETA SERIYA FIZIKA KHIMIYA, 1978, (02): : 14 - 16
[43] LCAO-MO-SCF CALCULATIONS OF INTERSTITIAL HE IN LIH
HARRISON, SW
FISCHER, CR
BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1969, 14 (04): : 612 - &
[44] Calculations on Ni Clusters: An Equivalent Crystal Theory and LCAO Approach
Datta, R. P.
Banerjea, A.
Mookerjee, A.
Bhattacharya, A. K.
International Journal of Modern Physics B, 11 (03):
[45] SOME ADDITIVE RELATIONSHIPS IN LCAO-MO CALCULATIONS OF CYANOPYRIDINES
SKALA, V
KUTHAN, J
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1970, 35 (01) : 354 - &
[46] SCF LCAO MO CALCULATIONS ON CLO(-)4, HCL AND CLF
JOHANSEN, H
CHEMICAL PHYSICS LETTERS, 1971, 11 (04) : 466 - +
[47] Electronic structure of crystalline uranium nitride:: LCAO DFT calculations
Evarestov, R. A.
Panin, A. I.
Losev, M. V.
JOURNAL OF STRUCTURAL CHEMISTRY, 2007, 48 (Suppl 1) : S125 - S133
[48] AB-INITIO SCF LCAO MO CALCULATIONS ON STYRENE
ALMLOF, JE
ISACSSON, PU
MJOBERG, PJ
RALOWSKI, WM
CHEMICAL PHYSICS LETTERS, 1974, 26 (02) : 215 - 217
[49] DIRECT MINIMIZATION OF ENERGY FUNCTIONAL IN LCAO-MO CALCULATIONS
KARI, R
SUTCLIFFE, BT
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (03) : 459 - 473
[50] Electronic structure of crystalline uranium nitride: LCAO DFT calculations
R. A. Évarestov
A. I. Panin
M. V. Losev
Journal of Structural Chemistry, 2007, 48 : S125 - S133

← 1 2 3 4 5 →