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CU AND AG AS ONE-VALENCE-ELECTRON ATOMS - PSEUDOPOTENTIAL CI RESULTS FOR CUO AND AGO
被引:43
作者
:
IGEL, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
IGEL, G
[
1
]
WEDIG, U
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
WEDIG, U
[
1
]
DOLG, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
DOLG, M
[
1
]
FUENTEALBA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
FUENTEALBA, P
[
1
]
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
PREUSS, H
[
1
]
STOLL, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
STOLL, H
[
1
]
FREY, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
FREY, R
[
1
]
机构
:
[1]
UNIV STUTTGART,INST WERKSTOFFE BAUWESEN,D-7000 STUTTGART 80,FED REP GER
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1984年
/ 81卷
/ 06期
关键词
:
D O I
:
10.1063/1.447945
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:2737 / 2740
页数:4
相关论文
共 24 条
[1]
ALKALI OXIDE DIATOMICS - EXPLANATION OF THE CHANGE IN GROUND-STATE SYMMETRY FROM LIO(2-PI) TO CSO(2-SIGMA+)
[J].
ALLISON, JN
论文数:
0
引用数:
0
h-index:
0
ALLISON, JN
;
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(08)
:4259
-4261
[2]
ON THE LOW-LYING STATES OF CUO
[J].
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LUND,S-22101 LUND,SWEDEN
BAGUS, PS
;
NELIN, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LUND,S-22101 LUND,SWEDEN
NELIN, CJ
;
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LUND,S-22101 LUND,SWEDEN
BAUSCHLICHER, CW
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(06)
:2975
-2981
[3]
A MODIFIED EFFECTIVE CORE POTENTIAL FOR THE COPPER ATOM - LOW-ENERGY ELECTRONIC STATES OF CUO
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY MT SINAI SCH MED,DEPT PHARMACOL,NEW YORK,NY 10029
CUNY MT SINAI SCH MED,DEPT PHARMACOL,NEW YORK,NY 10029
BASCH, H
;
OSMAN, R
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY MT SINAI SCH MED,DEPT PHARMACOL,NEW YORK,NY 10029
CUNY MT SINAI SCH MED,DEPT PHARMACOL,NEW YORK,NY 10029
OSMAN, R
.
CHEMICAL PHYSICS LETTERS,
1982,
93
(01)
:51
-55
[4]
THE DISSOCIATION-ENERGY OF CU-2 - DO WE WANT TO PERFORM MULTI-REFERENCE SINGLES AND DOUBLES CIS ON MANY-ELECTRON SYSTEMS
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
.
CHEMICAL PHYSICS LETTERS,
1983,
97
(02)
:204
-208
[5]
THE DISSOCIATION-ENERGY OF CAO
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ANGELES,LOS ANGELES,CA 90007
UNIV CALIF LOS ANGELES,LOS ANGELES,CA 90007
BAUSCHLICHER, CW
;
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ANGELES,LOS ANGELES,CA 90007
UNIV CALIF LOS ANGELES,LOS ANGELES,CA 90007
PARTRIDGE, H
.
CHEMICAL PHYSICS LETTERS,
1983,
94
(04)
:366
-368
[6]
THE DISSOCIATION-ENERGY OF MGO
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
BAUSCHLICHER, CW
;
LENGSFIELD, BH
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
LENGSFIELD, BH
;
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
LIU, B
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(08)
:4084
-4087
[7]
THEORETICAL CHARACTERIZATION OF NEGATIVE-IONS - CALCULATION OF THE ELECTRON-AFFINITIES OF CARBON, OXYGEN, AND FLUORINE
[J].
BOTCH, BH
论文数:
0
引用数:
0
h-index:
0
BOTCH, BH
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(12)
:6046
-6056
[8]
ABINITIO COMPUTATIONS ON SMALL COPPER COMPOUNDS-CUO
[J].
DENBOER, DHW
论文数:
0
引用数:
0
h-index:
0
DENBOER, DHW
;
KALEVELD, EW
论文数:
0
引用数:
0
h-index:
0
KALEVELD, EW
.
CHEMICAL PHYSICS LETTERS,
1980,
69
(02)
:389
-395
[9]
Desclaux J. P., 1974, Atomic Data and Nuclear Data Tables, V12, P311, DOI 10.1016/0092-640X(73)90020-X
[10]
A PROPER ACCOUNT OF CORE-POLARIZATION WITH PSEUDOPOTENTIALS - SINGLE VALENCE-ELECTRON ALKALI COMPOUNDS
[J].
FUENTEALBA, P
论文数:
0
引用数:
0
h-index:
0
FUENTEALBA, P
;
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
;
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
;
VONSZENTPALY, L
论文数:
0
引用数:
0
h-index:
0
VONSZENTPALY, L
.
CHEMICAL PHYSICS LETTERS,
1982,
89
(05)
:418
-422
←
1
2
3
→
共 24 条
[1]
ALKALI OXIDE DIATOMICS - EXPLANATION OF THE CHANGE IN GROUND-STATE SYMMETRY FROM LIO(2-PI) TO CSO(2-SIGMA+)
[J].
ALLISON, JN
论文数:
0
引用数:
0
h-index:
0
ALLISON, JN
;
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(08)
:4259
-4261
[2]
ON THE LOW-LYING STATES OF CUO
[J].
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LUND,S-22101 LUND,SWEDEN
BAGUS, PS
;
NELIN, CJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LUND,S-22101 LUND,SWEDEN
NELIN, CJ
;
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LUND,S-22101 LUND,SWEDEN
BAUSCHLICHER, CW
.
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(06)
:2975
-2981
[3]
A MODIFIED EFFECTIVE CORE POTENTIAL FOR THE COPPER ATOM - LOW-ENERGY ELECTRONIC STATES OF CUO
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY MT SINAI SCH MED,DEPT PHARMACOL,NEW YORK,NY 10029
CUNY MT SINAI SCH MED,DEPT PHARMACOL,NEW YORK,NY 10029
BASCH, H
;
OSMAN, R
论文数:
0
引用数:
0
h-index:
0
机构:
CUNY MT SINAI SCH MED,DEPT PHARMACOL,NEW YORK,NY 10029
CUNY MT SINAI SCH MED,DEPT PHARMACOL,NEW YORK,NY 10029
OSMAN, R
.
CHEMICAL PHYSICS LETTERS,
1982,
93
(01)
:51
-55
[4]
THE DISSOCIATION-ENERGY OF CU-2 - DO WE WANT TO PERFORM MULTI-REFERENCE SINGLES AND DOUBLES CIS ON MANY-ELECTRON SYSTEMS
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
BAUSCHLICHER, CW
.
CHEMICAL PHYSICS LETTERS,
1983,
97
(02)
:204
-208
[5]
THE DISSOCIATION-ENERGY OF CAO
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ANGELES,LOS ANGELES,CA 90007
UNIV CALIF LOS ANGELES,LOS ANGELES,CA 90007
BAUSCHLICHER, CW
;
PARTRIDGE, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ANGELES,LOS ANGELES,CA 90007
UNIV CALIF LOS ANGELES,LOS ANGELES,CA 90007
PARTRIDGE, H
.
CHEMICAL PHYSICS LETTERS,
1983,
94
(04)
:366
-368
[6]
THE DISSOCIATION-ENERGY OF MGO
[J].
BAUSCHLICHER, CW
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
BAUSCHLICHER, CW
;
LENGSFIELD, BH
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
LENGSFIELD, BH
;
LIU, B
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
IBM CORP,RES LAB,SAN JOSE,CA 95193
LIU, B
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
77
(08)
:4084
-4087
[7]
THEORETICAL CHARACTERIZATION OF NEGATIVE-IONS - CALCULATION OF THE ELECTRON-AFFINITIES OF CARBON, OXYGEN, AND FLUORINE
[J].
BOTCH, BH
论文数:
0
引用数:
0
h-index:
0
BOTCH, BH
;
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
.
JOURNAL OF CHEMICAL PHYSICS,
1982,
76
(12)
:6046
-6056
[8]
ABINITIO COMPUTATIONS ON SMALL COPPER COMPOUNDS-CUO
[J].
DENBOER, DHW
论文数:
0
引用数:
0
h-index:
0
DENBOER, DHW
;
KALEVELD, EW
论文数:
0
引用数:
0
h-index:
0
KALEVELD, EW
.
CHEMICAL PHYSICS LETTERS,
1980,
69
(02)
:389
-395
[9]
Desclaux J. P., 1974, Atomic Data and Nuclear Data Tables, V12, P311, DOI 10.1016/0092-640X(73)90020-X
[10]
A PROPER ACCOUNT OF CORE-POLARIZATION WITH PSEUDOPOTENTIALS - SINGLE VALENCE-ELECTRON ALKALI COMPOUNDS
[J].
FUENTEALBA, P
论文数:
0
引用数:
0
h-index:
0
FUENTEALBA, P
;
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
;
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
;
VONSZENTPALY, L
论文数:
0
引用数:
0
h-index:
0
VONSZENTPALY, L
.
CHEMICAL PHYSICS LETTERS,
1982,
89
(05)
:418
-422
←
1
2
3
→