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MODIFIED GENERALIZED VALENCE-BOND METHOD - A SIMPLE CORRECTION FOR THE ELECTRON CORRELATION MISSING IN GENERALIZED VALENCE-BOND WAVE-FUNCTIONS - PREDICTION OF DOUBLE-WELL STATES FOR CR-2 AND MO-2
被引:115
作者
:
GOODGAME, MM
论文数:
0
引用数:
0
h-index:
0
GOODGAME, MM
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
机构
:
来源
:
PHYSICAL REVIEW LETTERS
|
1985年
/ 54卷
/ 07期
关键词
:
D O I
:
10.1103/PhysRevLett.54.661
中图分类号
:
O4 [物理学];
学科分类号
:
0702 ;
摘要
:
引用
收藏
页码:661 / 664
页数:4
相关论文
共 22 条
[1]
BAYKARA NA, UNPUB MOL PHYS
[2]
LOCAL SPIN-DENSITY DESCRIPTION OF MULTIPLE METAL-METAL BONDING - MO2 AND CR-2
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
[J].
PHYSICAL REVIEW LETTERS,
1983,
50
(19)
: 1451
-
1454
[3]
Cotton F. A., 1982, MULTIPLE BONDS METAL
[4]
METAL-METAL BONDING IN CR-CR AND MO-MO DIMERS - ANOTHER SUCCESS OF LOCAL SPIN-DENSITY THEORY
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
[J].
PHYSICAL REVIEW LETTERS,
1983,
50
(07)
: 488
-
491
[5]
ELECTRONIC-SPECTRUM OF THE MO2 MOLECULE OBSERVED AFTER FLASH-PHOTOLYSIS OF MO(CO)6
EFREMOV, YM
论文数:
0
引用数:
0
h-index:
0
EFREMOV, YM
SAMOILOVA, AN
论文数:
0
引用数:
0
h-index:
0
SAMOILOVA, AN
KOZHUKHOVSKY, VB
论文数:
0
引用数:
0
h-index:
0
KOZHUKHOVSKY, VB
GURVICH, LV
论文数:
0
引用数:
0
h-index:
0
GURVICH, LV
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1978,
73
(03)
: 430
-
440
[6]
BINDING-ENERGIES AND STRUCTURE OF TRANSITION-METAL NEGATIVE-IONS
FEIGERLE, CS
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
FEIGERLE, CS
CORDERMAN, RR
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
CORDERMAN, RR
BOBASHEV, SV
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
BOBASHEV, SV
LINEBERGER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
LINEBERGER, WC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(03)
: 1580
-
1598
[7]
GENERALIZED VALENCE BOND DESCRIPTION OF BONDING IN LOW-LYING STATES OF MOLECULES
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
GODDARD, WA
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
DUNNING, TH
HUNT, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
HUNT, WJ
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
HAY, PJ
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1973,
6
(11)
: 368
-
376
[8]
NATURE OF MO-MO AND CR-CR MULTIPLE BONDS - A CHALLENGE FOR THE LOCAL-DENSITY APPROXIMATION
GOODGAME, MM
论文数:
0
引用数:
0
h-index:
0
GOODGAME, MM
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
[J].
PHYSICAL REVIEW LETTERS,
1982,
48
(03)
: 135
-
138
[9]
THE SEXTUPLE BOND OF CR-2
GOODGAME, MM
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
GOODGAME, MM
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
GODDARD, WA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1981,
85
(03)
: 215
-
217
[10]
MASS-SPECTROMETRIC OBSERVATION AND BOND-DISSOCIATION ENERGY OF DIMOLYBDENUM, MO2(G)
GUPTA, SK
论文数:
0
引用数:
0
h-index:
0
机构:
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
GUPTA, SK
ATKINS, RM
论文数:
0
引用数:
0
h-index:
0
机构:
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
ATKINS, RM
GINGERICH, KA
论文数:
0
引用数:
0
h-index:
0
机构:
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
GINGERICH, KA
[J].
INORGANIC CHEMISTRY,
1978,
17
(11)
: 3211
-
3213
←
1
2
3
→
共 22 条
[1]
BAYKARA NA, UNPUB MOL PHYS
[2]
LOCAL SPIN-DENSITY DESCRIPTION OF MULTIPLE METAL-METAL BONDING - MO2 AND CR-2
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
[J].
PHYSICAL REVIEW LETTERS,
1983,
50
(19)
: 1451
-
1454
[3]
Cotton F. A., 1982, MULTIPLE BONDS METAL
[4]
METAL-METAL BONDING IN CR-CR AND MO-MO DIMERS - ANOTHER SUCCESS OF LOCAL SPIN-DENSITY THEORY
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
[J].
PHYSICAL REVIEW LETTERS,
1983,
50
(07)
: 488
-
491
[5]
ELECTRONIC-SPECTRUM OF THE MO2 MOLECULE OBSERVED AFTER FLASH-PHOTOLYSIS OF MO(CO)6
EFREMOV, YM
论文数:
0
引用数:
0
h-index:
0
EFREMOV, YM
SAMOILOVA, AN
论文数:
0
引用数:
0
h-index:
0
SAMOILOVA, AN
KOZHUKHOVSKY, VB
论文数:
0
引用数:
0
h-index:
0
KOZHUKHOVSKY, VB
GURVICH, LV
论文数:
0
引用数:
0
h-index:
0
GURVICH, LV
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1978,
73
(03)
: 430
-
440
[6]
BINDING-ENERGIES AND STRUCTURE OF TRANSITION-METAL NEGATIVE-IONS
FEIGERLE, CS
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
FEIGERLE, CS
CORDERMAN, RR
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
CORDERMAN, RR
BOBASHEV, SV
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
BOBASHEV, SV
LINEBERGER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
LINEBERGER, WC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
74
(03)
: 1580
-
1598
[7]
GENERALIZED VALENCE BOND DESCRIPTION OF BONDING IN LOW-LYING STATES OF MOLECULES
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
GODDARD, WA
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
DUNNING, TH
HUNT, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
HUNT, WJ
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
HAY, PJ
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1973,
6
(11)
: 368
-
376
[8]
NATURE OF MO-MO AND CR-CR MULTIPLE BONDS - A CHALLENGE FOR THE LOCAL-DENSITY APPROXIMATION
GOODGAME, MM
论文数:
0
引用数:
0
h-index:
0
GOODGAME, MM
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
[J].
PHYSICAL REVIEW LETTERS,
1982,
48
(03)
: 135
-
138
[9]
THE SEXTUPLE BOND OF CR-2
GOODGAME, MM
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
GOODGAME, MM
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
GODDARD, WA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1981,
85
(03)
: 215
-
217
[10]
MASS-SPECTROMETRIC OBSERVATION AND BOND-DISSOCIATION ENERGY OF DIMOLYBDENUM, MO2(G)
GUPTA, SK
论文数:
0
引用数:
0
h-index:
0
机构:
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
GUPTA, SK
ATKINS, RM
论文数:
0
引用数:
0
h-index:
0
机构:
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
ATKINS, RM
GINGERICH, KA
论文数:
0
引用数:
0
h-index:
0
机构:
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
TEXAS A&M UNIV,DEPT CHEM,COLLEGE STN,TX 77843
GINGERICH, KA
[J].
INORGANIC CHEMISTRY,
1978,
17
(11)
: 3211
-
3213
←
1
2
3
→