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COMPUTATION OF MOLECULAR EQUILIBRIUM GEOMETRIES USING SELF-CONSISTENT PERTURBATION THEORY
被引:3
作者
:
VLADIMIROFF, T
论文数:
0
引用数:
0
h-index:
0
VLADIMIROFF, T
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1971年
/ 54卷
/ 05期
关键词
:
D O I
:
10.1063/1.1675178
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:2292 / +
页数:1
相关论文
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[1]
A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION
[J].
FLETCHER, R
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FLETCHER, R
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POWELL, MJD
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0
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POWELL, MJD
.
COMPUTER JOURNAL,
1963,
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(02)
:163
-&
[2]
FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I.
[J].
GERRATT, J
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GERRATT, J
;
MILLS, IM
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MILLS, IM
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JOURNAL OF CHEMICAL PHYSICS,
1968,
49
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:1719
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[3]
STUDIES IN MOLECULAR STRUCTURE .2. LCAO-MO-SCF WAVE FUNCTIONS FOR SELECTED 1ST-ROW DIATOMIC MOLECULES
[J].
RANSIL, BJ
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REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
:245
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[4]
LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTION .3. DETERMINATION OF GEOMETRY BY SCF CALCULATIONS, CF2
[J].
SACHS, LM
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0
引用数:
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h-index:
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机构:
Research Institute for Advanced Studies (RIAS), Martin Marietta Corporation, Baltimore
SACHS, LM
;
GELLER, M
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0
引用数:
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h-index:
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Research Institute for Advanced Studies (RIAS), Martin Marietta Corporation, Baltimore
GELLER, M
;
KAUFMAN, JJ
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Research Institute for Advanced Studies (RIAS), Martin Marietta Corporation, Baltimore
KAUFMAN, JJ
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JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(07)
:2771
-&
[5]
VLADIMIROFF T, 1970, INT J QUANTUM CHEM, V4, P89
←
1
→
共 5 条
[1]
A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION
[J].
FLETCHER, R
论文数:
0
引用数:
0
h-index:
0
FLETCHER, R
;
POWELL, MJD
论文数:
0
引用数:
0
h-index:
0
POWELL, MJD
.
COMPUTER JOURNAL,
1963,
6
(02)
:163
-&
[2]
FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I.
[J].
GERRATT, J
论文数:
0
引用数:
0
h-index:
0
GERRATT, J
;
MILLS, IM
论文数:
0
引用数:
0
h-index:
0
MILLS, IM
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(04)
:1719
-&
[3]
STUDIES IN MOLECULAR STRUCTURE .2. LCAO-MO-SCF WAVE FUNCTIONS FOR SELECTED 1ST-ROW DIATOMIC MOLECULES
[J].
RANSIL, BJ
论文数:
0
引用数:
0
h-index:
0
RANSIL, BJ
.
REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
:245
-254
[4]
LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTION .3. DETERMINATION OF GEOMETRY BY SCF CALCULATIONS, CF2
[J].
SACHS, LM
论文数:
0
引用数:
0
h-index:
0
机构:
Research Institute for Advanced Studies (RIAS), Martin Marietta Corporation, Baltimore
SACHS, LM
;
GELLER, M
论文数:
0
引用数:
0
h-index:
0
机构:
Research Institute for Advanced Studies (RIAS), Martin Marietta Corporation, Baltimore
GELLER, M
;
KAUFMAN, JJ
论文数:
0
引用数:
0
h-index:
0
机构:
Research Institute for Advanced Studies (RIAS), Martin Marietta Corporation, Baltimore
KAUFMAN, JJ
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(07)
:2771
-&
[5]
VLADIMIROFF T, 1970, INT J QUANTUM CHEM, V4, P89
←
1
→