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HARTREE-FOCK PLUS CORRELATION-ENERGY IN THE VALENCE SPACE
被引:2
作者
:
COLLE, R
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,SCUOLA NORMALE SUPER,I-56100 PISA,ITALY
CNR,SCUOLA NORMALE SUPER,I-56100 PISA,ITALY
COLLE, R
[
1
]
FORTUNELLI, A
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,SCUOLA NORMALE SUPER,I-56100 PISA,ITALY
CNR,SCUOLA NORMALE SUPER,I-56100 PISA,ITALY
FORTUNELLI, A
[
1
]
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,SCUOLA NORMALE SUPER,I-56100 PISA,ITALY
CNR,SCUOLA NORMALE SUPER,I-56100 PISA,ITALY
SALVETTI, O
[
1
]
机构
:
[1]
CNR,SCUOLA NORMALE SUPER,I-56100 PISA,ITALY
来源
:
JOURNAL OF PHYSICAL CHEMISTRY
|
1988年
/ 92卷
/ 04期
关键词
:
D O I
:
10.1021/j100315a013
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:921 / 924
页数:4
相关论文
共 10 条
[1]
PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
[J].
BACHELET, GB
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BACHELET, GB
;
HAMANN, DR
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
HAMANN, DR
;
SCHLUTER, M
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
SCHLUTER, M
.
PHYSICAL REVIEW B,
1982,
26
(08)
:4199
-4228
[2]
A GENERAL-METHOD FOR APPROXIMATING THE ELECTRONIC CORRELATION-ENERGY IN MOLECULES AND SOLIDS
[J].
COLLE, R
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANT & ENERGET MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANT & ENERGET MOLEC,I-56100 PISA,ITALY
COLLE, R
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANT & ENERGET MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANT & ENERGET MOLEC,I-56100 PISA,ITALY
SALVETTI, O
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(03)
:1404
-1407
[3]
A VALENCE-SPACE-ONLY APPROACH TO THE CALCULATION OF THE ELECTRONIC-STRUCTURE OF MANY-ELECTRON SYSTEMS
[J].
COLLE, R
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
COLLE, R
;
FORTUNELLI, A
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
FORTUNELLI, A
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
SALVETTI, O
.
MOLECULAR PHYSICS,
1986,
57
(06)
:1305
-1316
[4]
ATOMS IN MOLECULES .1. A CHARGE CONSERVATION RULE FOR TAKING INTO ACCOUNT THE ORTHOGONALITY HOLE
[J].
COLLE, R
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
COLLE, R
;
FORTUNELLI, A
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
FORTUNELLI, A
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
SALVETTI, O
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(06)
:2654
-2659
[5]
ANALYSIS OF VALENCE ORBITALS IN THE CORE REGIONS
[J].
COLLE, R
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
COLLE, R
;
FORTUNELLI, A
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
FORTUNELLI, A
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
SALVETTI, O
.
CHEMICAL PHYSICS LETTERS,
1986,
127
(01)
:84
-87
[6]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2.
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Alberta, Edmonton, Alta.
HUZINAGA, S
;
SAKAI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Alberta, Edmonton, Alta.
SAKAI, Y
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(03)
:1371
-&
[7]
ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(10)
:3826
-3853
[8]
DENSITY MATRIX IN MANY-ELECTRON QUANTUM MECHANICS .3. GENERALIZED PRODUCT FUNCTIONS FOR BERYLLIUM AND 4-ELECTRON IONS
[J].
MCWEENY, R
论文数:
0
引用数:
0
h-index:
0
MCWEENY, R
;
SUTCLIFFE, BT
论文数:
0
引用数:
0
h-index:
0
SUTCLIFFE, BT
.
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1963,
273
(1352)
:103
-+
[9]
THE DENSITY MATRIX IN MANY-ELECTRON QUANTUM MECHANICS .1. GENERALIZED PRODUCT FUNCTIONS - FACTORIZATION AND PHYSICAL INTERPRETATION OF THE DENSITY MATRICES
[J].
MCWEENY, R
论文数:
0
引用数:
0
h-index:
0
MCWEENY, R
.
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1959,
253
(1273)
:242
-259
[10]
Weeks J. D., 1969, ADV CHEM PHYS, V16, P283
←
1
→
共 10 条
[1]
PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
[J].
BACHELET, GB
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BACHELET, GB
;
HAMANN, DR
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
HAMANN, DR
;
SCHLUTER, M
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
SCHLUTER, M
.
PHYSICAL REVIEW B,
1982,
26
(08)
:4199
-4228
[2]
A GENERAL-METHOD FOR APPROXIMATING THE ELECTRONIC CORRELATION-ENERGY IN MOLECULES AND SOLIDS
[J].
COLLE, R
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANT & ENERGET MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANT & ENERGET MOLEC,I-56100 PISA,ITALY
COLLE, R
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANT & ENERGET MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANT & ENERGET MOLEC,I-56100 PISA,ITALY
SALVETTI, O
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(03)
:1404
-1407
[3]
A VALENCE-SPACE-ONLY APPROACH TO THE CALCULATION OF THE ELECTRONIC-STRUCTURE OF MANY-ELECTRON SYSTEMS
[J].
COLLE, R
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
COLLE, R
;
FORTUNELLI, A
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
FORTUNELLI, A
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
CNR,IST CHIM QUANT & ENERGET,I-56100 PISA,ITALY
SALVETTI, O
.
MOLECULAR PHYSICS,
1986,
57
(06)
:1305
-1316
[4]
ATOMS IN MOLECULES .1. A CHARGE CONSERVATION RULE FOR TAKING INTO ACCOUNT THE ORTHOGONALITY HOLE
[J].
COLLE, R
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
COLLE, R
;
FORTUNELLI, A
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
FORTUNELLI, A
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTISTICA & ENERGETICA MOLEC,I-56100 PISA,ITALY
SALVETTI, O
.
JOURNAL OF CHEMICAL PHYSICS,
1984,
80
(06)
:2654
-2659
[5]
ANALYSIS OF VALENCE ORBITALS IN THE CORE REGIONS
[J].
COLLE, R
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
COLLE, R
;
FORTUNELLI, A
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
FORTUNELLI, A
;
SALVETTI, O
论文数:
0
引用数:
0
h-index:
0
机构:
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
CNR,IST CHIM QUANTIST & ENERGET MOLEC,I-56100 PISA,ITALY
SALVETTI, O
.
CHEMICAL PHYSICS LETTERS,
1986,
127
(01)
:84
-87
[6]
GAUSSIAN-TYPE FUNCTIONS FOR POLYATOMIC SYSTEMS .2.
[J].
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Alberta, Edmonton, Alta.
HUZINAGA, S
;
SAKAI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of Alberta, Edmonton, Alta.
SAKAI, Y
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(03)
:1371
-&
[7]
ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS
[J].
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
.
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(10)
:3826
-3853
[8]
DENSITY MATRIX IN MANY-ELECTRON QUANTUM MECHANICS .3. GENERALIZED PRODUCT FUNCTIONS FOR BERYLLIUM AND 4-ELECTRON IONS
[J].
MCWEENY, R
论文数:
0
引用数:
0
h-index:
0
MCWEENY, R
;
SUTCLIFFE, BT
论文数:
0
引用数:
0
h-index:
0
SUTCLIFFE, BT
.
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1963,
273
(1352)
:103
-+
[9]
THE DENSITY MATRIX IN MANY-ELECTRON QUANTUM MECHANICS .1. GENERALIZED PRODUCT FUNCTIONS - FACTORIZATION AND PHYSICAL INTERPRETATION OF THE DENSITY MATRICES
[J].
MCWEENY, R
论文数:
0
引用数:
0
h-index:
0
MCWEENY, R
.
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES,
1959,
253
(1273)
:242
-259
[10]
Weeks J. D., 1969, ADV CHEM PHYS, V16, P283
←
1
→