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ANALYTIC ENERGY 3RD DERIVATIVES FOR PAIRED-EXCITED MULTICONFIGURATION SELF-CONSISTENT-FIELD WAVE-FUNCTIONS
被引:4
作者
:
DURAN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
DURAN, M
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
YAMAGUCHI, Y
REMINGTON, RB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
REMINGTON, RB
OSAMURA, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
OSAMURA, Y
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
SCHAEFER, HF
机构
:
[1]
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
[2]
UNIV GEORGIA, SCH CHEM SCI, CTR COMP QUANTUM CHEM, ATHENS, GA 30602 USA
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1989年
/ 90卷
/ 01期
关键词
:
D O I
:
10.1063/1.456534
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:334 / 345
页数:12
相关论文
共 76 条
[1]
MOLECULAR-PROPERTIES FROM PERTURBATION-THEORY - A UNIFIED TREATMENT OF ENERGY DERIVATIVES
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
CSIRO,DIV CHEM PHYS,CLAYTON,VIC 3168,AUSTRALIA
CSIRO,DIV CHEM PHYS,CLAYTON,VIC 3168,AUSTRALIA
ALMLOF, J
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
CSIRO,DIV CHEM PHYS,CLAYTON,VIC 3168,AUSTRALIA
CSIRO,DIV CHEM PHYS,CLAYTON,VIC 3168,AUSTRALIA
TAYLOR, PR
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1985,
27
(06)
: 743
-
768
[2]
VIBRATION-ROTATION BANDS OF AMMONIA .2. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA
BENEDICT, WS
论文数:
0
引用数:
0
h-index:
0
BENEDICT, WS
PLYLER, EK
论文数:
0
引用数:
0
h-index:
0
PLYLER, EK
[J].
CANADIAN JOURNAL OF PHYSICS,
1957,
35
(10)
: 1235
-
1241
[3]
BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79
[4]
A REFINED POTENTIAL SURFACE FOR THE X3B1 ELECTRONIC STATE OF METHYLENE CH2
BUNKER, PR
论文数:
0
引用数:
0
h-index:
0
BUNKER, PR
JENSEN, P
论文数:
0
引用数:
0
h-index:
0
JENSEN, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(03)
: 1224
-
1228
[5]
CARBO R, 1978, GENERAL SCF THEORY
[6]
A SYSTEMATIC STUDY OF MOLECULAR VIBRATIONAL ANHARMONICITY AND VIBRATION-ROTATION INTERACTION BY SELF-CONSISTENT-FIELD HIGHER-DERIVATIVE METHODS - ASYMMETRIC-TOP MOLECULES
CLABO, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
CLABO, DA
ALLEN, WD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
ALLEN, WD
REMINGTON, RB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
REMINGTON, RB
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
YAMAGUCHI, Y
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
SCHAEFER, HF
[J].
CHEMICAL PHYSICS,
1988,
123
(02)
: 187
-
239
[7]
MOLECULAR FORCE-FIELD AND STRUCTURE OF WATER - RECENT MICROWAVE RESULTS
COOK, RL
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV, DEPT PHYS, MISSISSIPPI STATE, MS 39762 USA
COOK, RL
DELUCIA, FC
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV, DEPT PHYS, MISSISSIPPI STATE, MS 39762 USA
DELUCIA, FC
HELMINGER, P
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV, DEPT PHYS, MISSISSIPPI STATE, MS 39762 USA
HELMINGER, P
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1974,
53
(01)
: 62
-
76
[8]
EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2
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,
1966,
44
(01)
: 87
-
&
[9]
Davidson E, 1976, REDUCED DENSITY MATR
[10]
ROTATION-VIBRATION SPECTRA OF DIATOMIC AND SIMPLE POLYATOMIC MOLECULES WITH LONG ABSORBING PATHS .9. THE SPECTRA OF THE HCN AND DCN MOLECULES FROM 2.5-MU TO 0.5-MU
DOUGLAS, AE
论文数:
0
引用数:
0
h-index:
0
DOUGLAS, AE
SHARMA, D
论文数:
0
引用数:
0
h-index:
0
SHARMA, D
[J].
JOURNAL OF CHEMICAL PHYSICS,
1953,
21
(03)
: 448
-
458
←
1
2
3
4
5
6
7
8
→
共 76 条
[1]
MOLECULAR-PROPERTIES FROM PERTURBATION-THEORY - A UNIFIED TREATMENT OF ENERGY DERIVATIVES
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
CSIRO,DIV CHEM PHYS,CLAYTON,VIC 3168,AUSTRALIA
CSIRO,DIV CHEM PHYS,CLAYTON,VIC 3168,AUSTRALIA
ALMLOF, J
TAYLOR, PR
论文数:
0
引用数:
0
h-index:
0
机构:
CSIRO,DIV CHEM PHYS,CLAYTON,VIC 3168,AUSTRALIA
CSIRO,DIV CHEM PHYS,CLAYTON,VIC 3168,AUSTRALIA
TAYLOR, PR
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1985,
27
(06)
: 743
-
768
[2]
VIBRATION-ROTATION BANDS OF AMMONIA .2. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA
BENEDICT, WS
论文数:
0
引用数:
0
h-index:
0
BENEDICT, WS
PLYLER, EK
论文数:
0
引用数:
0
h-index:
0
PLYLER, EK
[J].
CANADIAN JOURNAL OF PHYSICS,
1957,
35
(10)
: 1235
-
1241
[3]
BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79
[4]
A REFINED POTENTIAL SURFACE FOR THE X3B1 ELECTRONIC STATE OF METHYLENE CH2
BUNKER, PR
论文数:
0
引用数:
0
h-index:
0
BUNKER, PR
JENSEN, P
论文数:
0
引用数:
0
h-index:
0
JENSEN, P
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(03)
: 1224
-
1228
[5]
CARBO R, 1978, GENERAL SCF THEORY
[6]
A SYSTEMATIC STUDY OF MOLECULAR VIBRATIONAL ANHARMONICITY AND VIBRATION-ROTATION INTERACTION BY SELF-CONSISTENT-FIELD HIGHER-DERIVATIVE METHODS - ASYMMETRIC-TOP MOLECULES
CLABO, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
CLABO, DA
ALLEN, WD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
ALLEN, WD
REMINGTON, RB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
REMINGTON, RB
YAMAGUCHI, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
YAMAGUCHI, Y
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
SCHAEFER, HF
[J].
CHEMICAL PHYSICS,
1988,
123
(02)
: 187
-
239
[7]
MOLECULAR FORCE-FIELD AND STRUCTURE OF WATER - RECENT MICROWAVE RESULTS
COOK, RL
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV, DEPT PHYS, MISSISSIPPI STATE, MS 39762 USA
COOK, RL
DELUCIA, FC
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV, DEPT PHYS, MISSISSIPPI STATE, MS 39762 USA
DELUCIA, FC
HELMINGER, P
论文数:
0
引用数:
0
h-index:
0
机构:
MISSISSIPPI STATE UNIV, DEPT PHYS, MISSISSIPPI STATE, MS 39762 USA
HELMINGER, P
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1974,
53
(01)
: 62
-
76
[8]
EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2
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,
1966,
44
(01)
: 87
-
&
[9]
Davidson E, 1976, REDUCED DENSITY MATR
[10]
ROTATION-VIBRATION SPECTRA OF DIATOMIC AND SIMPLE POLYATOMIC MOLECULES WITH LONG ABSORBING PATHS .9. THE SPECTRA OF THE HCN AND DCN MOLECULES FROM 2.5-MU TO 0.5-MU
DOUGLAS, AE
论文数:
0
引用数:
0
h-index:
0
DOUGLAS, AE
SHARMA, D
论文数:
0
引用数:
0
h-index:
0
SHARMA, D
[J].
JOURNAL OF CHEMICAL PHYSICS,
1953,
21
(03)
: 448
-
458
←
1
2
3
4
5
6
7
8
→