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MOLLER-PLESSET ENERGY DERIVATIVES
被引:196
作者
:
JORGENSEN, P
论文数:
0
引用数:
0
h-index:
0
JORGENSEN, P
HELGAKER, T
论文数:
0
引用数:
0
h-index:
0
HELGAKER, T
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1988年
/ 89卷
/ 03期
关键词
:
D O I
:
10.1063/1.455152
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:1560 / 1570
页数:11
相关论文
共 18 条
[1]
FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I.
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(04)
: 1719
-
&
[2]
ON THE EVALUATION OF ANALYTIC ENERGY DERIVATIVES FOR CORRELATED WAVE-FUNCTIONS
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
HANDY, NC
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(11)
: 5031
-
5033
[3]
THE ELIMINATION OF SINGULARITIES IN DERIVATIVE CALCULATIONS
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
AMOS, RD
GAW, JF
论文数:
0
引用数:
0
h-index:
0
GAW, JF
RICE, JE
论文数:
0
引用数:
0
h-index:
0
RICE, JE
SIMANDIRAS, ED
论文数:
0
引用数:
0
h-index:
0
SIMANDIRAS, ED
[J].
CHEMICAL PHYSICS LETTERS,
1985,
120
(02)
: 151
-
158
[4]
HANDY NC, 1986, GEOMETRICAL DERIVATI, P179
[5]
ANALYTIC MBPT(2) 2ND DERIVATIVES
HARRISON, RJ
论文数:
0
引用数:
0
h-index:
0
HARRISON, RJ
FITZGERALD, GB
论文数:
0
引用数:
0
h-index:
0
FITZGERALD, GB
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
LAIDIG, WD
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
CHEMICAL PHYSICS LETTERS,
1986,
124
(03)
: 291
-
294
[6]
HELGAKER T, IN PRESS THEOR CHIM
[7]
Helgaker T., 1988, ADV QUANTUM CHEM, V19, P183
[8]
A 2ND-QUANTIZATION APPROACH TO THE ANALYTICAL EVALUATION OF RESPONSE PROPERTIES FOR PERTURBATION-DEPENDENT BASIS-SETS
HELGAKER, TU
论文数:
0
引用数:
0
h-index:
0
HELGAKER, TU
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
ALMLOF, J
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1984,
26
(02)
: 275
-
291
[9]
ABINITIO ANALYTICAL MOLECULAR GRADIENTS AND HESSIANS
JORGENSEN, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
JORGENSEN, P
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
SIMONS, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(01)
: 334
-
357
[10]
JORGENSEN P, 1981, 2ND QUANTIZATION BAS
←
1
2
→
共 18 条
[1]
FORCE CONSTANTS AND DIPOLE-MOMENT DERIVATIVES OF MOLECULES FROM PERTURBED HARTREE-FOCK CALCULATIONS .I.
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(04)
: 1719
-
&
[2]
ON THE EVALUATION OF ANALYTIC ENERGY DERIVATIVES FOR CORRELATED WAVE-FUNCTIONS
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
HANDY, NC
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1984,
81
(11)
: 5031
-
5033
[3]
THE ELIMINATION OF SINGULARITIES IN DERIVATIVE CALCULATIONS
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
AMOS, RD
GAW, JF
论文数:
0
引用数:
0
h-index:
0
GAW, JF
RICE, JE
论文数:
0
引用数:
0
h-index:
0
RICE, JE
SIMANDIRAS, ED
论文数:
0
引用数:
0
h-index:
0
SIMANDIRAS, ED
[J].
CHEMICAL PHYSICS LETTERS,
1985,
120
(02)
: 151
-
158
[4]
HANDY NC, 1986, GEOMETRICAL DERIVATI, P179
[5]
ANALYTIC MBPT(2) 2ND DERIVATIVES
HARRISON, RJ
论文数:
0
引用数:
0
h-index:
0
HARRISON, RJ
FITZGERALD, GB
论文数:
0
引用数:
0
h-index:
0
FITZGERALD, GB
LAIDIG, WD
论文数:
0
引用数:
0
h-index:
0
LAIDIG, WD
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
BARTLETT, RJ
[J].
CHEMICAL PHYSICS LETTERS,
1986,
124
(03)
: 291
-
294
[6]
HELGAKER T, IN PRESS THEOR CHIM
[7]
Helgaker T., 1988, ADV QUANTUM CHEM, V19, P183
[8]
A 2ND-QUANTIZATION APPROACH TO THE ANALYTICAL EVALUATION OF RESPONSE PROPERTIES FOR PERTURBATION-DEPENDENT BASIS-SETS
HELGAKER, TU
论文数:
0
引用数:
0
h-index:
0
HELGAKER, TU
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
ALMLOF, J
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1984,
26
(02)
: 275
-
291
[9]
ABINITIO ANALYTICAL MOLECULAR GRADIENTS AND HESSIANS
JORGENSEN, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
JORGENSEN, P
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
SIMONS, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
79
(01)
: 334
-
357
[10]
JORGENSEN P, 1981, 2ND QUANTIZATION BAS
←
1
2
→