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COMPLETELY NUMERICAL-CALCULATIONS ON DIATOMIC-MOLECULES IN THE LOCAL-DENSITY APPROXIMATION
被引:137
作者
:
BECKE, AD
论文数:
0
引用数:
0
h-index:
0
BECKE, AD
机构
:
来源
:
PHYSICAL REVIEW A
|
1986年
/ 33卷
/ 04期
关键词
:
D O I
:
10.1103/PhysRevA.33.2786
中图分类号
:
O43 [光学];
学科分类号
:
070207 ;
0803 ;
摘要
:
引用
收藏
页码:2786 / 2788
页数:3
相关论文
共 20 条
[1]
LCAO LOCAL-SPIN-DENSITY AND X-ALPHA CALCULATIONS FOR CR-2 AND MO-2
[J].
BAYKARA, NA
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MCMASTER, BN
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MOLECULAR PHYSICS,
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[2]
NUMERICAL HARTREE-FOCK-SLATER CALCULATIONS ON DIATOMIC-MOLECULES - ADDENDUM
[J].
BECKE, AD
论文数:
0
引用数:
0
h-index:
0
BECKE, AD
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(07)
:4787
-4788
[3]
LOCAL EXCHANGE-CORRELATION APPROXIMATIONS AND 1ST-ROW MOLECULAR DISSOCIATION-ENERGIES
[J].
BECKE, AD
论文数:
0
引用数:
0
h-index:
0
机构:
DALHOUSIE UNIV,DEPT MED,HALIFAX B3H 4J3,NS,CANADA
DALHOUSIE UNIV,DEPT MED,HALIFAX B3H 4J3,NS,CANADA
BECKE, AD
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1985,
27
(05)
:585
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[4]
NUMERICAL HARTREE-FOCK-SLATER CALCULATIONS ON DIATOMIC-MOLECULES
[J].
BECKE, AD
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0
引用数:
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机构:
MCMASTER UNIV,DEPT PHYS,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT PHYS,HAMILTON L8S 4M1,ONTARIO,CANADA
BECKE, AD
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JOURNAL OF CHEMICAL PHYSICS,
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:6037
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[5]
BECKE AD, 1981, THESIS MCMASTER U HA
[6]
LOCAL SPIN-DENSITY DESCRIPTION OF MULTIPLE METAL-METAL BONDING - MO2 AND CR-2
[J].
BERNHOLC, J
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GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD
[J].
CEPERLEY, DM
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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:
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h-index:
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机构:
UNIV CALIF LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
UNIV CALIF LAWRENCE LIVERMORE LAB,LIVERMORE,CA 94550
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.
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METAL-METAL BONDING IN CR-CR AND MO-MO DIMERS - ANOTHER SUCCESS OF LOCAL SPIN-DENSITY THEORY
[J].
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PHYSICAL REVIEW LETTERS,
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[9]
1ST-ROW DIATOMIC-MOLECULES AND LOCAL DENSITY MODELS
[J].
DUNLAP, BI
论文数:
0
引用数:
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h-index:
0
机构:
NATL SCI FDN, DIV MAT RES, WASHINGTON, DC 20550 USA
DUNLAP, BI
;
CONNOLLY, JWD
论文数:
0
引用数:
0
h-index:
0
机构:
NATL SCI FDN, DIV MAT RES, WASHINGTON, DC 20550 USA
CONNOLLY, JWD
;
SABIN, JR
论文数:
0
引用数:
0
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0
机构:
NATL SCI FDN, DIV MAT RES, WASHINGTON, DC 20550 USA
SABIN, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(12)
:4993
-4999
[10]
SOME APPROXIMATIONS IN APPLICATIONS OF X-ALPHA THEORY
[J].
DUNLAP, BI
论文数:
0
引用数:
0
h-index:
0
机构:
NATL SCI FDN,DIV MAT RES,WASHINGTON,DC 20550
DUNLAP, BI
;
CONNOLLY, JWD
论文数:
0
引用数:
0
h-index:
0
机构:
NATL SCI FDN,DIV MAT RES,WASHINGTON,DC 20550
CONNOLLY, JWD
;
SABIN, JR
论文数:
0
引用数:
0
h-index:
0
机构:
NATL SCI FDN,DIV MAT RES,WASHINGTON,DC 20550
SABIN, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(08)
:3396
-3402
←
1
2
→
共 20 条
[1]
LCAO LOCAL-SPIN-DENSITY AND X-ALPHA CALCULATIONS FOR CR-2 AND MO-2
[J].
BAYKARA, NA
论文数:
0
引用数:
0
h-index:
0
BAYKARA, NA
;
MCMASTER, BN
论文数:
0
引用数:
0
h-index:
0
MCMASTER, BN
;
SALAHUB, DR
论文数:
0
引用数:
0
h-index:
0
SALAHUB, DR
.
MOLECULAR PHYSICS,
1984,
52
(04)
:891
-905
[2]
NUMERICAL HARTREE-FOCK-SLATER CALCULATIONS ON DIATOMIC-MOLECULES - ADDENDUM
[J].
BECKE, AD
论文数:
0
引用数:
0
h-index:
0
BECKE, AD
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(07)
:4787
-4788
[3]
LOCAL EXCHANGE-CORRELATION APPROXIMATIONS AND 1ST-ROW MOLECULAR DISSOCIATION-ENERGIES
[J].
BECKE, AD
论文数:
0
引用数:
0
h-index:
0
机构:
DALHOUSIE UNIV,DEPT MED,HALIFAX B3H 4J3,NS,CANADA
DALHOUSIE UNIV,DEPT MED,HALIFAX B3H 4J3,NS,CANADA
BECKE, AD
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1985,
27
(05)
:585
-594
[4]
NUMERICAL HARTREE-FOCK-SLATER CALCULATIONS ON DIATOMIC-MOLECULES
[J].
BECKE, AD
论文数:
0
引用数:
0
h-index:
0
机构:
MCMASTER UNIV,DEPT PHYS,HAMILTON L8S 4M1,ONTARIO,CANADA
MCMASTER UNIV,DEPT PHYS,HAMILTON L8S 4M1,ONTARIO,CANADA
BECKE, AD
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(12)
:6037
-6045
[5]
BECKE AD, 1981, THESIS MCMASTER U HA
[6]
LOCAL SPIN-DENSITY DESCRIPTION OF MULTIPLE METAL-METAL BONDING - MO2 AND CR-2
[J].
BERNHOLC, J
论文数:
0
引用数:
0
h-index:
0
BERNHOLC, J
;
HOLZWARTH, NAW
论文数:
0
引用数:
0
h-index:
0
HOLZWARTH, NAW
.
PHYSICAL REVIEW LETTERS,
1983,
50
(19)
:1451
-1454
[7]
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
[8]
METAL-METAL BONDING IN CR-CR AND MO-MO DIMERS - ANOTHER SUCCESS OF LOCAL SPIN-DENSITY THEORY
[J].
DELLEY, B
论文数:
0
引用数:
0
h-index:
0
DELLEY, B
;
FREEMAN, AJ
论文数:
0
引用数:
0
h-index:
0
FREEMAN, AJ
;
ELLIS, DE
论文数:
0
引用数:
0
h-index:
0
ELLIS, DE
.
PHYSICAL REVIEW LETTERS,
1983,
50
(07)
:488
-491
[9]
1ST-ROW DIATOMIC-MOLECULES AND LOCAL DENSITY MODELS
[J].
DUNLAP, BI
论文数:
0
引用数:
0
h-index:
0
机构:
NATL SCI FDN, DIV MAT RES, WASHINGTON, DC 20550 USA
DUNLAP, BI
;
CONNOLLY, JWD
论文数:
0
引用数:
0
h-index:
0
机构:
NATL SCI FDN, DIV MAT RES, WASHINGTON, DC 20550 USA
CONNOLLY, JWD
;
SABIN, JR
论文数:
0
引用数:
0
h-index:
0
机构:
NATL SCI FDN, DIV MAT RES, WASHINGTON, DC 20550 USA
SABIN, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(12)
:4993
-4999
[10]
SOME APPROXIMATIONS IN APPLICATIONS OF X-ALPHA THEORY
[J].
DUNLAP, BI
论文数:
0
引用数:
0
h-index:
0
机构:
NATL SCI FDN,DIV MAT RES,WASHINGTON,DC 20550
DUNLAP, BI
;
CONNOLLY, JWD
论文数:
0
引用数:
0
h-index:
0
机构:
NATL SCI FDN,DIV MAT RES,WASHINGTON,DC 20550
CONNOLLY, JWD
;
SABIN, JR
论文数:
0
引用数:
0
h-index:
0
机构:
NATL SCI FDN,DIV MAT RES,WASHINGTON,DC 20550
SABIN, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(08)
:3396
-3402
←
1
2
→