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DENSITY-FUNCTIONAL THEORY WITH SELF-INTERACTION CORRECTION - APPLICATION TO THE LITHIUM MOLECULE
被引:163
作者
:
PEDERSON, MR
论文数:
0
引用数:
0
h-index:
0
PEDERSON, MR
HEATON, RA
论文数:
0
引用数:
0
h-index:
0
HEATON, RA
LIN, CC
论文数:
0
引用数:
0
h-index:
0
LIN, CC
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1985年
/ 82卷
/ 06期
关键词
:
D O I
:
10.1063/1.448266
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:2688 / 2699
页数:12
相关论文
共 34 条
[1]
GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD
[J].
CEPERLEY, DM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
UNIV CALIF LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
CEPERLEY, DM
;
ALDER, BJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
UNIV CALIF LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
ALDER, BJ
.
PHYSICAL REVIEW LETTERS,
1980,
45
(07)
:566
-569
[2]
CALCULATED ELECTRON-AFFINITIES OF THE ELEMENTS
[J].
COLE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
TULANE UNIV,DEPT PHYS,NEW ORLEANS,LA 70118
COLE, LA
;
PERDEW, JP
论文数:
0
引用数:
0
h-index:
0
机构:
TULANE UNIV,DEPT PHYS,NEW ORLEANS,LA 70118
PERDEW, JP
.
PHYSICAL REVIEW A,
1982,
25
(03)
:1265
-1271
[3]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
:716
-+
[4]
LOCALIZED ATOMIC AND MOLECULAR ORBITALS
[J].
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
EDMISTON, C
;
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
RUEDENBERG, K
.
REVIEWS OF MODERN PHYSICS,
1963,
35
(03)
:457
-&
[5]
A COMBINATION OF PSEUDOPOTENTIALS AND DENSITY FUNCTIONALS - RESULTS FOR LI-N(M+),NA-N(M+) AND K-N(M+) CLUSTERS (NLESS-THAN-OR-EQUAL-TO4-M=0,1)
[J].
FLAD, J
论文数:
0
引用数:
0
h-index:
0
FLAD, J
;
IGEL, G
论文数:
0
引用数:
0
h-index:
0
IGEL, G
;
DOLG, M
论文数:
0
引用数:
0
h-index:
0
DOLG, M
;
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
;
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
.
CHEMICAL PHYSICS,
1983,
75
(03)
:331
-345
[6]
EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM
[J].
GUNNARSSON, O
论文数:
0
引用数:
0
h-index:
0
机构:
AARHUS UNIV, INST PHYS, DK-8000 AARHUS, DENMARK
GUNNARSSON, O
;
LUNDQVIST, BI
论文数:
0
引用数:
0
h-index:
0
机构:
AARHUS UNIV, INST PHYS, DK-8000 AARHUS, DENMARK
LUNDQVIST, BI
.
PHYSICAL REVIEW B,
1976,
13
(10)
:4274
-4298
[7]
DENSITY FUNCTIONAL THEORY AND MOLECULAR BONDING .2. ALKALI DIMERS
[J].
HARRIS, J
论文数:
0
引用数:
0
h-index:
0
HARRIS, J
;
JONES, RO
论文数:
0
引用数:
0
h-index:
0
JONES, RO
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(03)
:1190
-1193
[8]
SELF-INTERACTION CORRECTION TO THE LOCAL DENSITY HARTREE-FOCK ATOMIC CALCULATIONS OF EXCITED AND GROUND-STATES
[J].
HARRISON, JG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
HARRISON, JG
;
HEATON, RA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
HEATON, RA
;
LIN, CC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
LIN, CC
.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1983,
16
(12)
:2079
-2091
[9]
SELF-INTERACTION CORRECTION FOR DENSITY-FUNCTIONAL THEORY OF ELECTRONIC-ENERGY BANDS OF SOLIDS
[J].
HEATON, RA
论文数:
0
引用数:
0
h-index:
0
HEATON, RA
;
HARRISON, JG
论文数:
0
引用数:
0
h-index:
0
HARRISON, JG
;
LIN, CC
论文数:
0
引用数:
0
h-index:
0
LIN, CC
.
PHYSICAL REVIEW B,
1983,
28
(10)
:5992
-6007
[10]
Herman F., 1963, ATOMIC STRUCTURE CAL
←
1
2
3
4
→
共 34 条
[1]
GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD
[J].
CEPERLEY, DM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
UNIV CALIF LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
CEPERLEY, DM
;
ALDER, BJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
UNIV CALIF LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
ALDER, BJ
.
PHYSICAL REVIEW LETTERS,
1980,
45
(07)
:566
-569
[2]
CALCULATED ELECTRON-AFFINITIES OF THE ELEMENTS
[J].
COLE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
TULANE UNIV,DEPT PHYS,NEW ORLEANS,LA 70118
COLE, LA
;
PERDEW, JP
论文数:
0
引用数:
0
h-index:
0
机构:
TULANE UNIV,DEPT PHYS,NEW ORLEANS,LA 70118
PERDEW, JP
.
PHYSICAL REVIEW A,
1982,
25
(03)
:1265
-1271
[3]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
[J].
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
:716
-+
[4]
LOCALIZED ATOMIC AND MOLECULAR ORBITALS
[J].
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
EDMISTON, C
;
RUEDENBERG, K
论文数:
0
引用数:
0
h-index:
0
RUEDENBERG, K
.
REVIEWS OF MODERN PHYSICS,
1963,
35
(03)
:457
-&
[5]
A COMBINATION OF PSEUDOPOTENTIALS AND DENSITY FUNCTIONALS - RESULTS FOR LI-N(M+),NA-N(M+) AND K-N(M+) CLUSTERS (NLESS-THAN-OR-EQUAL-TO4-M=0,1)
[J].
FLAD, J
论文数:
0
引用数:
0
h-index:
0
FLAD, J
;
IGEL, G
论文数:
0
引用数:
0
h-index:
0
IGEL, G
;
DOLG, M
论文数:
0
引用数:
0
h-index:
0
DOLG, M
;
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
;
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
.
CHEMICAL PHYSICS,
1983,
75
(03)
:331
-345
[6]
EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM
[J].
GUNNARSSON, O
论文数:
0
引用数:
0
h-index:
0
机构:
AARHUS UNIV, INST PHYS, DK-8000 AARHUS, DENMARK
GUNNARSSON, O
;
LUNDQVIST, BI
论文数:
0
引用数:
0
h-index:
0
机构:
AARHUS UNIV, INST PHYS, DK-8000 AARHUS, DENMARK
LUNDQVIST, BI
.
PHYSICAL REVIEW B,
1976,
13
(10)
:4274
-4298
[7]
DENSITY FUNCTIONAL THEORY AND MOLECULAR BONDING .2. ALKALI DIMERS
[J].
HARRIS, J
论文数:
0
引用数:
0
h-index:
0
HARRIS, J
;
JONES, RO
论文数:
0
引用数:
0
h-index:
0
JONES, RO
.
JOURNAL OF CHEMICAL PHYSICS,
1978,
68
(03)
:1190
-1193
[8]
SELF-INTERACTION CORRECTION TO THE LOCAL DENSITY HARTREE-FOCK ATOMIC CALCULATIONS OF EXCITED AND GROUND-STATES
[J].
HARRISON, JG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
HARRISON, JG
;
HEATON, RA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
HEATON, RA
;
LIN, CC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
UNIV WISCONSIN,DEPT PHYS,MADISON,WI 53706
LIN, CC
.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1983,
16
(12)
:2079
-2091
[9]
SELF-INTERACTION CORRECTION FOR DENSITY-FUNCTIONAL THEORY OF ELECTRONIC-ENERGY BANDS OF SOLIDS
[J].
HEATON, RA
论文数:
0
引用数:
0
h-index:
0
HEATON, RA
;
HARRISON, JG
论文数:
0
引用数:
0
h-index:
0
HARRISON, JG
;
LIN, CC
论文数:
0
引用数:
0
h-index:
0
LIN, CC
.
PHYSICAL REVIEW B,
1983,
28
(10)
:5992
-6007
[10]
Herman F., 1963, ATOMIC STRUCTURE CAL
←
1
2
3
4
→