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SCF-STABILIZATION APPROACH TO EXCITED-STATES EMBEDDED IN CONTINUUM
被引:7
作者
:
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
BENDER, CF
MCKOY, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
MCKOY, V
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
DAVIDSON, ER
机构
:
[1]
UNIV CALIF,LAWRENCE LIVERMORE LAB,THEORET ATOM & MOLEC PHYS GRP,LIVERMORE,CA 94550
[2]
UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
[3]
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91125
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1977年
/ 67卷
/ 05期
关键词
:
D O I
:
10.1063/1.435104
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:2178 / 2180
页数:3
相关论文
共 14 条
[1]
INTERPRETATION OF OPEN-SHELL SCF CALCULATIONS ON T AND V STATES OF ETHYLENE
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
MCKOY, V
论文数:
0
引用数:
0
h-index:
0
MCKOY, V
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(05)
: 1628
-
&
[2]
MULTICONFIGURATION WAVEFUNCTIONS FOR LOWEST (PI-PI) EXCITED-STATES OF ETHYLENE
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
HUNT, WJ
论文数:
0
引用数:
0
h-index:
0
HUNT, WJ
[J].
CHEMICAL PHYSICS LETTERS,
1972,
15
(02)
: 171
-
&
[3]
ALL-VALENCE-ELECTRON CONFIGURATION MIXING CALCULATIONS FOR CHARACTERIZATION OF 1(PI,PI-STAR) STATES OF ETHYLENE
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUL THEORET CHEM,53 BONN,FED REP GER
UNIV BONN,LEHRSTUL THEORET CHEM,53 BONN,FED REP GER
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUL THEORET CHEM,53 BONN,FED REP GER
UNIV BONN,LEHRSTUL THEORET CHEM,53 BONN,FED REP GER
PEYERIMHOFF, SD
[J].
CHEMICAL PHYSICS,
1975,
9
(1-2)
: 75
-
89
[4]
DAVIDSON ER, 1976, INT J QUANTUM CHEM S, V10, P21
[5]
Dunning Jr T. H., 1977, MODERN THEORETICAL C, V2
[6]
The theoretical description of the (pi pi*) excited states of ethylene
Dunning, T. H., Jr.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Dunning, T. H., Jr.
Huntt, W. J.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Huntt, W. J.
Goddard, W. A., III
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Goddard, W. A., III
[J].
CHEMICAL PHYSICS LETTERS,
1969,
4
(03)
: 147
-
150
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[8]
AB-INITIO EVALUATION OF CORRELATION CONTRIBUTIONS TO TRUE PI-ELECTRON HAMILTONIAN - ETHYLENE
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
IWATA, S
FREED, KF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
FREED, KF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(04)
: 1500
-
1509
[9]
LANGHOFF PW, 1974, INT J QUANTUM CHEM S, V8, P347
[10]
MCMURCHIE LF, TO BE PUBLISHED
←
1
2
→
共 14 条
[1]
INTERPRETATION OF OPEN-SHELL SCF CALCULATIONS ON T AND V STATES OF ETHYLENE
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
MCKOY, V
论文数:
0
引用数:
0
h-index:
0
MCKOY, V
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(05)
: 1628
-
&
[2]
MULTICONFIGURATION WAVEFUNCTIONS FOR LOWEST (PI-PI) EXCITED-STATES OF ETHYLENE
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
SCHAEFER, HF
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
HUNT, WJ
论文数:
0
引用数:
0
h-index:
0
HUNT, WJ
[J].
CHEMICAL PHYSICS LETTERS,
1972,
15
(02)
: 171
-
&
[3]
ALL-VALENCE-ELECTRON CONFIGURATION MIXING CALCULATIONS FOR CHARACTERIZATION OF 1(PI,PI-STAR) STATES OF ETHYLENE
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUL THEORET CHEM,53 BONN,FED REP GER
UNIV BONN,LEHRSTUL THEORET CHEM,53 BONN,FED REP GER
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUL THEORET CHEM,53 BONN,FED REP GER
UNIV BONN,LEHRSTUL THEORET CHEM,53 BONN,FED REP GER
PEYERIMHOFF, SD
[J].
CHEMICAL PHYSICS,
1975,
9
(1-2)
: 75
-
89
[4]
DAVIDSON ER, 1976, INT J QUANTUM CHEM S, V10, P21
[5]
Dunning Jr T. H., 1977, MODERN THEORETICAL C, V2
[6]
The theoretical description of the (pi pi*) excited states of ethylene
Dunning, T. H., Jr.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Dunning, T. H., Jr.
Huntt, W. J.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Huntt, W. J.
Goddard, W. A., III
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Goddard, W. A., III
[J].
CHEMICAL PHYSICS LETTERS,
1969,
4
(03)
: 147
-
150
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[8]
AB-INITIO EVALUATION OF CORRELATION CONTRIBUTIONS TO TRUE PI-ELECTRON HAMILTONIAN - ETHYLENE
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
IWATA, S
FREED, KF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
FREED, KF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(04)
: 1500
-
1509
[9]
LANGHOFF PW, 1974, INT J QUANTUM CHEM S, V8, P347
[10]
MCMURCHIE LF, TO BE PUBLISHED
←
1
2
→