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THE GENERAL ATOMIC AND MOLECULAR ELECTRONIC-STRUCTURE SYSTEM HONDO - VERSION-7.0
被引:90
作者
:
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
DUPUIS, M
WATTS, JD
论文数:
0
引用数:
0
h-index:
0
WATTS, JD
VILLAR, HO
论文数:
0
引用数:
0
h-index:
0
VILLAR, HO
HURST, GJB
论文数:
0
引用数:
0
h-index:
0
HURST, GJB
机构
:
来源
:
COMPUTER PHYSICS COMMUNICATIONS
|
1989年
/ 52卷
/ 03期
关键词
:
D O I
:
10.1016/0010-4655(89)90116-1
中图分类号
:
TP39 [计算机的应用];
学科分类号
:
081203 ;
0835 ;
摘要
:
引用
收藏
页码:415 / 425
页数:11
相关论文
共 37 条
[11]
THEORETICAL-STUDY OF THE H+O-3REVERSIBLEOH+O-2REVERSIBLEO+HO2 SYSTEM
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
DUPUIS, M
FITZGERALD, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
FITZGERALD, G
HAMMOND, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
HAMMOND, B
LESTER, WA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
LESTER, WA
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(05)
: 2691
-
2697
[12]
MOLECULAR SYMMETRY .2. GRADIENT OF ELECTRONIC-ENERGY WITH RESPECT TO NUCLEAR COORDINATES
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(09)
: 3998
-
4004
[13]
EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
RYS, J
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
RYS, J
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(01)
: 111
-
116
[14]
DUPUIS M, 1971, THEOR CHIM ACTA, V71, P255
[15]
DERIVATIVE HARTREE-FOCK THEORY TO ALL ORDERS
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
JASIEN, PG
论文数:
0
引用数:
0
h-index:
0
JASIEN, PG
[J].
CHEMICAL PHYSICS LETTERS,
1984,
109
(04)
: 388
-
393
[16]
HURST GJB, IN PRESS J CHEM PHYS
[17]
ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
KAHN, LR
BAYBUTT, P
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
BAYBUTT, P
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
TRUHLAR, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(10)
: 3826
-
3853
[18]
EFFICIENT ABINITIO METHOD FOR COMPUTING INFRARED AND RAMAN INTENSITIES - APPLICATION TO ETHYLENE
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KOMORNICKI, A
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
MCIVER, JW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(04)
: 2014
-
2016
[19]
CONTRIBUTION OF TRIPLE SUBSTITUTIONS TO THE ELECTRON CORRELATION-ENERGY IN 4TH ORDER PERTURBATION-THEORY
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
FRISCH, MJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(07)
: 4244
-
4245
[20]
ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
MULLIKEN, RS
论文数:
0
引用数:
0
h-index:
0
MULLIKEN, RS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1955,
23
(10)
: 1833
-
1840
←
1
2
3
4
→
共 37 条
[11]
THEORETICAL-STUDY OF THE H+O-3REVERSIBLEOH+O-2REVERSIBLEO+HO2 SYSTEM
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
DUPUIS, M
FITZGERALD, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
FITZGERALD, G
HAMMOND, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
HAMMOND, B
LESTER, WA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
LESTER, WA
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1986,
84
(05)
: 2691
-
2697
[12]
MOLECULAR SYMMETRY .2. GRADIENT OF ELECTRONIC-ENERGY WITH RESPECT TO NUCLEAR COORDINATES
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(09)
: 3998
-
4004
[13]
EVALUATION OF MOLECULAR INTEGRALS OVER GAUSSIAN BASIS FUNCTIONS
DUPUIS, M
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
DUPUIS, M
RYS, J
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
RYS, J
KING, HF
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KING, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(01)
: 111
-
116
[14]
DUPUIS M, 1971, THEOR CHIM ACTA, V71, P255
[15]
DERIVATIVE HARTREE-FOCK THEORY TO ALL ORDERS
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
JASIEN, PG
论文数:
0
引用数:
0
h-index:
0
JASIEN, PG
[J].
CHEMICAL PHYSICS LETTERS,
1984,
109
(04)
: 388
-
393
[16]
HURST GJB, IN PRESS J CHEM PHYS
[17]
ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
KAHN, LR
BAYBUTT, P
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
BAYBUTT, P
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
TRUHLAR, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(10)
: 3826
-
3853
[18]
EFFICIENT ABINITIO METHOD FOR COMPUTING INFRARED AND RAMAN INTENSITIES - APPLICATION TO ETHYLENE
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
KOMORNICKI, A
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
SUNY BUFFALO,DEPT CHEM,BUFFALO,NY 14214
MCIVER, JW
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(04)
: 2014
-
2016
[19]
CONTRIBUTION OF TRIPLE SUBSTITUTIONS TO THE ELECTRON CORRELATION-ENERGY IN 4TH ORDER PERTURBATION-THEORY
KRISHNAN, R
论文数:
0
引用数:
0
h-index:
0
KRISHNAN, R
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
FRISCH, MJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(07)
: 4244
-
4245
[20]
ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
MULLIKEN, RS
论文数:
0
引用数:
0
h-index:
0
MULLIKEN, RS
[J].
JOURNAL OF CHEMICAL PHYSICS,
1955,
23
(10)
: 1833
-
1840
←
1
2
3
4
→