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CALCULATION OF NATURAL ORBITALS BY PERTURBATION-THEORY
被引:59
作者
:
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS,OH 43201
BATTELLE MEM INST,COLUMBUS,OH 43201
HAY, PJ
[
1
]
机构
:
[1]
BATTELLE MEM INST,COLUMBUS,OH 43201
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1973年
/ 59卷
/ 05期
关键词
:
D O I
:
10.1063/1.1680359
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:2468 / 2476
页数:9
相关论文
共 30 条
[1]
ALBAT R, 1972, Z NATURFORSCH PT A, VA 27, P545
[2]
NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1966,
70
(08)
: 2675
-
&
[3]
THEORETICAL CALCULATION OF POTENTIAL CURVES OF BE2 MOLECULE
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(12)
: 4972
-
&
[4]
DAS G, 1971, ADV QUANTUM CHEM, V5, P261
[5]
Davidson E. R., 1972, ADV QUANTUM CHEM, V6, P235
[6]
DAVIDSON ER, 1972, ADV QUANTUM CHEM, V6, P262
[7]
LIH POTENTIAL CURVES AND WAVEFUNCTIONS FOR X1SIGMA+, A1SIGMA+, B1PI,3SIGMA+, AND 3PI
DOCKEN, KK
论文数:
0
引用数:
0
h-index:
0
DOCKEN, KK
HINZE, J
论文数:
0
引用数:
0
h-index:
0
HINZE, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(11)
: 4928
-
&
[8]
MANY-BODY GREENS FUNCTIONS FOR FINITE, NONUNIFORM SYSTEMS - APPLICATIONS TO CLOSED SHELL ATOMS
DOLL, JD
论文数:
0
引用数:
0
h-index:
0
DOLL, JD
REINHARD.WP
论文数:
0
引用数:
0
h-index:
0
REINHARD.WP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(03)
: 1169
-
&
[9]
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
-
+
[10]
PSEUDONATURAL ORBITALS AS A BASIS FOR SUPERPOSITION OF CONFIGURATIONS .I. HE2+
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
EDMISTON, C
KRAUSS, M
论文数:
0
引用数:
0
h-index:
0
KRAUSS, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(05)
: 1833
-
&
←
1
2
3
→
共 30 条
[1]
ALBAT R, 1972, Z NATURFORSCH PT A, VA 27, P545
[2]
NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1966,
70
(08)
: 2675
-
&
[3]
THEORETICAL CALCULATION OF POTENTIAL CURVES OF BE2 MOLECULE
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(12)
: 4972
-
&
[4]
DAS G, 1971, ADV QUANTUM CHEM, V5, P261
[5]
Davidson E. R., 1972, ADV QUANTUM CHEM, V6, P235
[6]
DAVIDSON ER, 1972, ADV QUANTUM CHEM, V6, P262
[7]
LIH POTENTIAL CURVES AND WAVEFUNCTIONS FOR X1SIGMA+, A1SIGMA+, B1PI,3SIGMA+, AND 3PI
DOCKEN, KK
论文数:
0
引用数:
0
h-index:
0
DOCKEN, KK
HINZE, J
论文数:
0
引用数:
0
h-index:
0
HINZE, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(11)
: 4928
-
&
[8]
MANY-BODY GREENS FUNCTIONS FOR FINITE, NONUNIFORM SYSTEMS - APPLICATIONS TO CLOSED SHELL ATOMS
DOLL, JD
论文数:
0
引用数:
0
h-index:
0
DOLL, JD
REINHARD.WP
论文数:
0
引用数:
0
h-index:
0
REINHARD.WP
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(03)
: 1169
-
&
[9]
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
-
+
[10]
PSEUDONATURAL ORBITALS AS A BASIS FOR SUPERPOSITION OF CONFIGURATIONS .I. HE2+
EDMISTON, C
论文数:
0
引用数:
0
h-index:
0
EDMISTON, C
KRAUSS, M
论文数:
0
引用数:
0
h-index:
0
KRAUSS, M
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(05)
: 1833
-
&
←
1
2
3
→