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ABINITIO EFFECTIVE VALENCE SHELL HAMILTONIAN CALCULATIONS OF LI-2 POTENTIAL CURVES
被引:22
作者
:
TAKADA, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
TAKADA, T
[
1
]
SHEPPARD, MG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
SHEPPARD, MG
[
1
]
FREED, KF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
FREED, KF
[
1
]
机构
:
[1]
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1983年
/ 79卷
/ 01期
关键词
:
D O I
:
10.1063/1.445526
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:325 / 330
页数:6
相关论文
共 19 条
[1]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[2]
FREED KF, 1977, MODERN THEORETICAL C, V1
[3]
Huber K P., 1979, MOL SPECTRA MOL STRU
[4]
VALENCE TYPE VACANT ORBITALS FOR CONFIGURATION-INTERACTION CALCULATIONS
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
INST PHYS & CHEM RES,WAKO,SAITAMA 351,JAPAN
IWATA, S
[J].
CHEMICAL PHYSICS LETTERS,
1981,
83
(01)
: 134
-
138
[5]
NONCLASSICAL TERMS IN TRUE EFFECTIVE VALENCE SHELL HAMILTONIAN - 2ND QUANTIZED FORMALISM
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,
1976,
65
(03)
: 1071
-
1088
[6]
ELECTRONIC-STRUCTURE AND SPECTRA OF THE X1SIGMA+G AND A1SIGMA+U STATES OF LI2
KONOWALOW, DD
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON, BINGHAMTON, NY 13901 USA
SUNY BINGHAMTON, BINGHAMTON, NY 13901 USA
KONOWALOW, DD
OLSON, ML
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON, BINGHAMTON, NY 13901 USA
SUNY BINGHAMTON, BINGHAMTON, NY 13901 USA
OLSON, ML
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(01)
: 450
-
457
[7]
ABINITIO EFFECTIVE VALENCE HAMILTONIAN DESCRIPTION OF ELECTRON CORRELATION FOR THE NEUTRAL AND ION VALENCE STATES OF TRANSITION-METAL ATOMS
LEE, YS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
LEE, YS
SUN, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
SUN, H
SHEPPARD, MG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
SHEPPARD, MG
FREED, KF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
FREED, KF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(03)
: 1472
-
1474
[8]
EXCITED-STATES OF LI-2(+)
MULLER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BASEL,INST PHYS CHEM,CH-4056 BASEL,SWITZERLAND
UNIV BASEL,INST PHYS CHEM,CH-4056 BASEL,SWITZERLAND
MULLER, W
JUNGEN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BASEL,INST PHYS CHEM,CH-4056 BASEL,SWITZERLAND
UNIV BASEL,INST PHYS CHEM,CH-4056 BASEL,SWITZERLAND
JUNGEN, M
[J].
CHEMICAL PHYSICS LETTERS,
1976,
40
(02)
: 199
-
204
[9]
ACCURATE POTENTIAL-ENERGY CURVES FOR 3-SIGMA+(U) AND B3-SIGMA+(G) STATES OF LI2
OLSON, ML
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON, DEPT CHEM, BINGHAMTON, NY 13901 USA
SUNY BINGHAMTON, DEPT CHEM, BINGHAMTON, NY 13901 USA
OLSON, ML
KONOWALOW, DD
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON, DEPT CHEM, BINGHAMTON, NY 13901 USA
SUNY BINGHAMTON, DEPT CHEM, BINGHAMTON, NY 13901 USA
KONOWALOW, DD
[J].
CHEMICAL PHYSICS,
1977,
21
(03)
: 393
-
399
[10]
LOWEST PI-1(G), PI-3(G), PI-1(U) AND PI-3(U) STATES OF LI-2
OLSON, ML
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON,DEPT CHEM,BINGHAMTON,NY 13901
SUNY BINGHAMTON,DEPT CHEM,BINGHAMTON,NY 13901
OLSON, ML
KONOWALOW, DD
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON,DEPT CHEM,BINGHAMTON,NY 13901
SUNY BINGHAMTON,DEPT CHEM,BINGHAMTON,NY 13901
KONOWALOW, DD
[J].
CHEMICAL PHYSICS,
1977,
22
(01)
: 29
-
39
←
1
2
→
共 19 条
[1]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[2]
FREED KF, 1977, MODERN THEORETICAL C, V1
[3]
Huber K P., 1979, MOL SPECTRA MOL STRU
[4]
VALENCE TYPE VACANT ORBITALS FOR CONFIGURATION-INTERACTION CALCULATIONS
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
INST PHYS & CHEM RES,WAKO,SAITAMA 351,JAPAN
IWATA, S
[J].
CHEMICAL PHYSICS LETTERS,
1981,
83
(01)
: 134
-
138
[5]
NONCLASSICAL TERMS IN TRUE EFFECTIVE VALENCE SHELL HAMILTONIAN - 2ND QUANTIZED FORMALISM
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,
1976,
65
(03)
: 1071
-
1088
[6]
ELECTRONIC-STRUCTURE AND SPECTRA OF THE X1SIGMA+G AND A1SIGMA+U STATES OF LI2
KONOWALOW, DD
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON, BINGHAMTON, NY 13901 USA
SUNY BINGHAMTON, BINGHAMTON, NY 13901 USA
KONOWALOW, DD
OLSON, ML
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON, BINGHAMTON, NY 13901 USA
SUNY BINGHAMTON, BINGHAMTON, NY 13901 USA
OLSON, ML
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
71
(01)
: 450
-
457
[7]
ABINITIO EFFECTIVE VALENCE HAMILTONIAN DESCRIPTION OF ELECTRON CORRELATION FOR THE NEUTRAL AND ION VALENCE STATES OF TRANSITION-METAL ATOMS
LEE, YS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
LEE, YS
SUN, H
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
SUN, H
SHEPPARD, MG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
SHEPPARD, MG
FREED, KF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637
FREED, KF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(03)
: 1472
-
1474
[8]
EXCITED-STATES OF LI-2(+)
MULLER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BASEL,INST PHYS CHEM,CH-4056 BASEL,SWITZERLAND
UNIV BASEL,INST PHYS CHEM,CH-4056 BASEL,SWITZERLAND
MULLER, W
JUNGEN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BASEL,INST PHYS CHEM,CH-4056 BASEL,SWITZERLAND
UNIV BASEL,INST PHYS CHEM,CH-4056 BASEL,SWITZERLAND
JUNGEN, M
[J].
CHEMICAL PHYSICS LETTERS,
1976,
40
(02)
: 199
-
204
[9]
ACCURATE POTENTIAL-ENERGY CURVES FOR 3-SIGMA+(U) AND B3-SIGMA+(G) STATES OF LI2
OLSON, ML
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON, DEPT CHEM, BINGHAMTON, NY 13901 USA
SUNY BINGHAMTON, DEPT CHEM, BINGHAMTON, NY 13901 USA
OLSON, ML
KONOWALOW, DD
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON, DEPT CHEM, BINGHAMTON, NY 13901 USA
SUNY BINGHAMTON, DEPT CHEM, BINGHAMTON, NY 13901 USA
KONOWALOW, DD
[J].
CHEMICAL PHYSICS,
1977,
21
(03)
: 393
-
399
[10]
LOWEST PI-1(G), PI-3(G), PI-1(U) AND PI-3(U) STATES OF LI-2
OLSON, ML
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON,DEPT CHEM,BINGHAMTON,NY 13901
SUNY BINGHAMTON,DEPT CHEM,BINGHAMTON,NY 13901
OLSON, ML
KONOWALOW, DD
论文数:
0
引用数:
0
h-index:
0
机构:
SUNY BINGHAMTON,DEPT CHEM,BINGHAMTON,NY 13901
SUNY BINGHAMTON,DEPT CHEM,BINGHAMTON,NY 13901
KONOWALOW, DD
[J].
CHEMICAL PHYSICS,
1977,
22
(01)
: 29
-
39
←
1
2
→