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EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM
被引:3174
作者
:
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
机构
:
[1]
AARHUS UNIV, INST PHYS, DK-8000 AARHUS, DENMARK
[2]
CHALMERS UNIV TECHNOL, INST THEORET PHYS, S-40220 GOTHENBURG 5, SWEDEN
[3]
CORNELL UNIV, ATOM & SOLID STATE PHYS LAB, ITHACA, NY 14850 USA
[4]
CORNELL UNIV, CTR MAT SCI, ITHACA, NY 14850 USA
来源
:
PHYSICAL REVIEW B
|
1976年
/ 13卷
/ 10期
关键词
:
D O I
:
10.1103/PhysRevB.13.4274
中图分类号
:
T [工业技术];
学科分类号
:
08 ;
摘要
:
引用
收藏
页码:4274 / 4298
页数:25
相关论文
共 133 条
[1]
Abrikosov A. A., 1963, METHODS QUANTUM FIEL
[2]
MUFFIN-TIN ORBITALS AND MOLECULAR CALCULATIONS - GENERAL FORMALISM
ANDERSEN, OK
论文数:
0
引用数:
0
h-index:
0
机构:
TECH UNIV LYNGBY, DEPT ELECTROPHYS, 2800 LYNGBY, DENMARK
ANDERSEN, OK
WOOLLEY, RG
论文数:
0
引用数:
0
h-index:
0
机构:
TECH UNIV LYNGBY, DEPT ELECTROPHYS, 2800 LYNGBY, DENMARK
WOOLLEY, RG
[J].
MOLECULAR PHYSICS,
1973,
26
(04)
: 905
-
927
[3]
VIRIAL THEOREM FOR HOMOGENEOUS ELECTRON GAS
ARGYRES, PN
论文数:
0
引用数:
0
h-index:
0
ARGYRES, PN
[J].
PHYSICAL REVIEW,
1967,
154
(02):
: 410
-
&
[4]
ARROTT A, 1966, MAGNETISM B, V2, P295
[5]
BAND THEORY OF ANTIFERROMAGNETISM IN 3D F.C.C. TRANSITION METALS
ASANO, S
论文数:
0
引用数:
0
h-index:
0
ASANO, S
YAMASHITA, J
论文数:
0
引用数:
0
h-index:
0
YAMASHITA, J
[J].
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN,
1971,
31
(04)
: 1000
-
+
[6]
BAND THEORY OF ANTIFERROMAGNETIC CHROMIUM
ASANO, S
论文数:
0
引用数:
0
h-index:
0
ASANO, S
YAMASHITA, J
论文数:
0
引用数:
0
h-index:
0
YAMASHITA, J
[J].
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN,
1967,
23
(04)
: 714
-
+
[7]
SELF-CONSISTENT POTENTIAL OF BAND CALCULATION
ASANO, S
论文数:
0
引用数:
0
h-index:
0
ASANO, S
YAMASHITA, J
论文数:
0
引用数:
0
h-index:
0
YAMASHITA, J
[J].
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN,
1971,
30
(03)
: 667
-
+
[8]
Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure
Baerends, E. J.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Baerends, E. J.
Ellis, D. E.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ellis, D. E.
Ros, P.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ros, P.
[J].
CHEMICAL PHYSICS,
1973,
2
(01)
: 41
-
51
[9]
Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules
Baerends, E. J.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Baerends, E. J.
Ros, P.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ros, P.
[J].
CHEMICAL PHYSICS,
1973,
2
(01)
: 52
-
59
[10]
COULOMB HOLES AND EXPECTATION VALUES .1. EXPLICITLY CORRELATED WAVEFUNCTIONS
BANYARD, KE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEICESTER,DEPT PHYS,LEICESTER,ENGLAND
UNIV LEICESTER,DEPT PHYS,LEICESTER,ENGLAND
BANYARD, KE
SEDDON, GJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEICESTER,DEPT PHYS,LEICESTER,ENGLAND
UNIV LEICESTER,DEPT PHYS,LEICESTER,ENGLAND
SEDDON, GJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(03)
: 1132
-
1142
←
1
2
3
4
5
6
7
8
9
10
→
共 133 条
[1]
Abrikosov A. A., 1963, METHODS QUANTUM FIEL
[2]
MUFFIN-TIN ORBITALS AND MOLECULAR CALCULATIONS - GENERAL FORMALISM
ANDERSEN, OK
论文数:
0
引用数:
0
h-index:
0
机构:
TECH UNIV LYNGBY, DEPT ELECTROPHYS, 2800 LYNGBY, DENMARK
ANDERSEN, OK
WOOLLEY, RG
论文数:
0
引用数:
0
h-index:
0
机构:
TECH UNIV LYNGBY, DEPT ELECTROPHYS, 2800 LYNGBY, DENMARK
WOOLLEY, RG
[J].
MOLECULAR PHYSICS,
1973,
26
(04)
: 905
-
927
[3]
VIRIAL THEOREM FOR HOMOGENEOUS ELECTRON GAS
ARGYRES, PN
论文数:
0
引用数:
0
h-index:
0
ARGYRES, PN
[J].
PHYSICAL REVIEW,
1967,
154
(02):
: 410
-
&
[4]
ARROTT A, 1966, MAGNETISM B, V2, P295
[5]
BAND THEORY OF ANTIFERROMAGNETISM IN 3D F.C.C. TRANSITION METALS
ASANO, S
论文数:
0
引用数:
0
h-index:
0
ASANO, S
YAMASHITA, J
论文数:
0
引用数:
0
h-index:
0
YAMASHITA, J
[J].
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN,
1971,
31
(04)
: 1000
-
+
[6]
BAND THEORY OF ANTIFERROMAGNETIC CHROMIUM
ASANO, S
论文数:
0
引用数:
0
h-index:
0
ASANO, S
YAMASHITA, J
论文数:
0
引用数:
0
h-index:
0
YAMASHITA, J
[J].
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN,
1967,
23
(04)
: 714
-
+
[7]
SELF-CONSISTENT POTENTIAL OF BAND CALCULATION
ASANO, S
论文数:
0
引用数:
0
h-index:
0
ASANO, S
YAMASHITA, J
论文数:
0
引用数:
0
h-index:
0
YAMASHITA, J
[J].
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN,
1971,
30
(03)
: 667
-
+
[8]
Self-consistent molecular Hartree-Fock-Slater calculations - I. The computational procedure
Baerends, E. J.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Baerends, E. J.
Ellis, D. E.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ellis, D. E.
Ros, P.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ros, P.
[J].
CHEMICAL PHYSICS,
1973,
2
(01)
: 41
-
51
[9]
Self-consistent molecular Hartree-Fock-Slater calculations - II. The effect of exchange scaling in some small molecules
Baerends, E. J.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Baerends, E. J.
Ros, P.
论文数:
0
引用数:
0
h-index:
0
机构:
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Vrije Univ Amsterdam, Scheikundig Lab, Amsterdam, Netherlands
Ros, P.
[J].
CHEMICAL PHYSICS,
1973,
2
(01)
: 52
-
59
[10]
COULOMB HOLES AND EXPECTATION VALUES .1. EXPLICITLY CORRELATED WAVEFUNCTIONS
BANYARD, KE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEICESTER,DEPT PHYS,LEICESTER,ENGLAND
UNIV LEICESTER,DEPT PHYS,LEICESTER,ENGLAND
BANYARD, KE
SEDDON, GJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LEICESTER,DEPT PHYS,LEICESTER,ENGLAND
UNIV LEICESTER,DEPT PHYS,LEICESTER,ENGLAND
SEDDON, GJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(03)
: 1132
-
1142
←
1
2
3
4
5
6
7
8
9
10
→