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PSEUDOPOTENTIAL EVALUATION OF THE GROUND-STATE POTENTIAL CURVES FOR THE CL-2 AND BR-2 MOLECULES
被引:4
作者
:
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1981年
/ 79卷
/ 02期
关键词
:
D O I
:
10.1016/0009-2614(81)80209-6
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:305 / 309
页数:5
相关论文
共 9 条
[1]
A STUDY OF THE ACCURACY OF THE PSEUDOPOTENTIAL FORMALISM
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
[J].
CHEMICAL PHYSICS LETTERS,
1980,
71
(02)
: 202
-
206
[2]
PSEUDOPOTENTIAL STUDY OF SOME PROMINENT BAND SYSTEMS OF SPECTRA OF I-2 MOLECULE
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(01)
: 53
-
62
[3]
THEORETICAL STUDY OF F2 MOLECULE USING METHOD OF OPTIMIZED VALENCE CONFIGURATIONS
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(07)
: 3532
-
&
[4]
MODIFIED PSEUDOPOTENTIAL APPROACH TO HEAVY-ATOMIC MOLECULAR SYSTEMS - APPLICATION TO X2-SIGMA+1-2,A2-PI1-2, AND A2-PI3-2 STATES OF HGH MOLECULE
DAS, G
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
DAS, G
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(11)
: 4672
-
4679
[5]
ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
KAHN, LR
BAYBUTT, P
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
BAYBUTT, P
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
TRUHLAR, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(10)
: 3826
-
3853
[6]
MOLECULAR-PROPERTIES OF N2 AND CO2 AS FUNCTIONS OF NUCLEAR GEOMETRY - POLARIZABILITIES, QUADRUPOLE-MOMENTS, AND DIPOLE-MOMENTS
MORRISON, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
MORRISON, MA
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
HAY, PJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(09)
: 4034
-
4043
[7]
WAHL AC, 1977, METHODS ELECTRONIC S
[8]
WAHL AC, 7271 ARG NAT LAB TEC
[9]
SCF AND CI STUDY OF THE PROPERTIES OF THE HCL AND CL2 MOLECULES
WILLIAMS, JH
论文数:
0
引用数:
0
h-index:
0
WILLIAMS, JH
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
AMOS, RD
[J].
CHEMICAL PHYSICS LETTERS,
1980,
70
(01)
: 162
-
165
←
1
→
共 9 条
[1]
A STUDY OF THE ACCURACY OF THE PSEUDOPOTENTIAL FORMALISM
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
[J].
CHEMICAL PHYSICS LETTERS,
1980,
71
(02)
: 202
-
206
[2]
PSEUDOPOTENTIAL STUDY OF SOME PROMINENT BAND SYSTEMS OF SPECTRA OF I-2 MOLECULE
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(01)
: 53
-
62
[3]
THEORETICAL STUDY OF F2 MOLECULE USING METHOD OF OPTIMIZED VALENCE CONFIGURATIONS
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(07)
: 3532
-
&
[4]
MODIFIED PSEUDOPOTENTIAL APPROACH TO HEAVY-ATOMIC MOLECULAR SYSTEMS - APPLICATION TO X2-SIGMA+1-2,A2-PI1-2, AND A2-PI3-2 STATES OF HGH MOLECULE
DAS, G
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
DAS, G
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
机构:
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(11)
: 4672
-
4679
[5]
ABINITIO EFFECTIVE CORE POTENTIALS - REDUCTION OF ALL-ELECTRON MOLECULAR-STRUCTURE CALCULATIONS TO CALCULATIONS INVOLVING ONLY VALENCE-ELECTRONS
KAHN, LR
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
KAHN, LR
BAYBUTT, P
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
BAYBUTT, P
TRUHLAR, DG
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, MET SCI SECT, COLUMBUS, OH 43201 USA
TRUHLAR, DG
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
65
(10)
: 3826
-
3853
[6]
MOLECULAR-PROPERTIES OF N2 AND CO2 AS FUNCTIONS OF NUCLEAR GEOMETRY - POLARIZABILITIES, QUADRUPOLE-MOMENTS, AND DIPOLE-MOMENTS
MORRISON, MA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
MORRISON, MA
HAY, PJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
HAY, PJ
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(09)
: 4034
-
4043
[7]
WAHL AC, 1977, METHODS ELECTRONIC S
[8]
WAHL AC, 7271 ARG NAT LAB TEC
[9]
SCF AND CI STUDY OF THE PROPERTIES OF THE HCL AND CL2 MOLECULES
WILLIAMS, JH
论文数:
0
引用数:
0
h-index:
0
WILLIAMS, JH
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
AMOS, RD
[J].
CHEMICAL PHYSICS LETTERS,
1980,
70
(01)
: 162
-
165
←
1
→