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FULLY NUMERICAL HARTREE-FOCK METHODS FOR MOLECULES
被引:232
作者
:
LAAKSONEN, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HELSINKI, DEPT CHEM, SF-00100 HELSINKI 10, FINLAND
UNIV HELSINKI, DEPT CHEM, SF-00100 HELSINKI 10, FINLAND
LAAKSONEN, L
[
1
]
PYYKKO, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HELSINKI, DEPT CHEM, SF-00100 HELSINKI 10, FINLAND
UNIV HELSINKI, DEPT CHEM, SF-00100 HELSINKI 10, FINLAND
PYYKKO, P
[
1
]
SUNDHOLM, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV HELSINKI, DEPT CHEM, SF-00100 HELSINKI 10, FINLAND
UNIV HELSINKI, DEPT CHEM, SF-00100 HELSINKI 10, FINLAND
SUNDHOLM, D
[
1
]
机构
:
[1]
UNIV HELSINKI, DEPT CHEM, SF-00100 HELSINKI 10, FINLAND
来源
:
COMPUTER PHYSICS REPORTS
|
1986年
/ 4卷
/ 05期
关键词
:
D O I
:
10.1016/0167-7977(86)90021-3
中图分类号
:
TP39 [计算机的应用];
学科分类号
:
081203 ;
0835 ;
摘要
:
引用
收藏
页码:313 / 344
页数:32
相关论文
共 111 条
[1]
Abramowitz M., 1968, HDB MATH FUNCTIONS
[2]
A NUMERICAL MULTICONFIGURATION SELF-CONSISTENT-FIELD METHOD FOR DIATOMIC-MOLECULES
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
ADAMOWICZ, L
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
MCCULLOUGH, EA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
75
(05)
: 2475
-
2476
[3]
NUMERICAL MULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATIONS ON THE 1ST EXCITED-STATE OF LIH-
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
ADAMOWICZ, L
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
MCCULLOUGH, EA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1984,
88
(10)
: 2045
-
2048
[4]
HIGH EXCITED-STATES OF DIPOLE-BOUND ANIONS OF POLAR DIATOMIC-MOLECULES
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
ADAMOWICZ, L
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
MCCULLOUGH, EA
[J].
CHEMICAL PHYSICS LETTERS,
1984,
107
(01)
: 72
-
76
[5]
MOLECULAR-BASIS SET GENERATION - ACCURATE SLATER BASIS-SETS FOR LIH- GROUND AND EXCITED-STATE AND LI-2-GROUND STATE
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
ADAMOWICZ, L
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
MCCULLOUGH, EA
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1983,
24
(01)
: 19
-
23
[6]
RELAXATION METHODS FOR GAUGE FIELD EQUILIBRIUM EQUATIONS
ADLER, SL
论文数:
0
引用数:
0
h-index:
0
机构:
HEBREW UNIV JERUSALEM,RACAH INST PHYS,JERUSALEM,ISRAEL
HEBREW UNIV JERUSALEM,RACAH INST PHYS,JERUSALEM,ISRAEL
ADLER, SL
PIRAN, T
论文数:
0
引用数:
0
h-index:
0
机构:
HEBREW UNIV JERUSALEM,RACAH INST PHYS,JERUSALEM,ISRAEL
HEBREW UNIV JERUSALEM,RACAH INST PHYS,JERUSALEM,ISRAEL
PIRAN, T
[J].
REVIEWS OF MODERN PHYSICS,
1984,
56
(01)
: 1
-
40
[7]
SCF AND CI CALCULATIONS OF THE ONE-ELECTRON PROPERTIES, POLARIZABILITIES AND POLARIZABILITY DERIVATIVES OF THE NITROGEN MOLECULE
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
AMOS, RD
[J].
MOLECULAR PHYSICS,
1980,
39
(01)
: 1
-
14
[8]
BAERENDS EJ, 1985, J MOL STRUC-THEOCHEM, V26, P147, DOI 10.1016/0166-1280(85)85013-2
[9]
NUMERICAL HARTREE-FOCK-SLATER CALCULATIONS ON DIATOMIC-MOLECULES - ADDENDUM
BECKE, AD
论文数:
0
引用数:
0
h-index:
0
BECKE, AD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(07)
: 4787
-
4788
[10]
LOCAL EXCHANGE-CORRELATION APPROXIMATIONS AND 1ST-ROW MOLECULAR DISSOCIATION-ENERGIES
BECKE, AD
论文数:
0
引用数:
0
h-index:
0
机构:
DALHOUSIE UNIV,DEPT MED,HALIFAX B3H 4J3,NS,CANADA
DALHOUSIE UNIV,DEPT MED,HALIFAX B3H 4J3,NS,CANADA
BECKE, AD
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1985,
27
(05)
: 585
-
594
←
1
2
3
4
5
6
7
8
9
10
→
共 111 条
[1]
Abramowitz M., 1968, HDB MATH FUNCTIONS
[2]
A NUMERICAL MULTICONFIGURATION SELF-CONSISTENT-FIELD METHOD FOR DIATOMIC-MOLECULES
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
ADAMOWICZ, L
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
MCCULLOUGH, EA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
75
(05)
: 2475
-
2476
[3]
NUMERICAL MULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATIONS ON THE 1ST EXCITED-STATE OF LIH-
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
ADAMOWICZ, L
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
MCCULLOUGH, EA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1984,
88
(10)
: 2045
-
2048
[4]
HIGH EXCITED-STATES OF DIPOLE-BOUND ANIONS OF POLAR DIATOMIC-MOLECULES
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
ADAMOWICZ, L
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
机构:
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
UTAH STATE UNIV,DEPT CHEM & BIOCHEM,LOGAN,UT 84322
MCCULLOUGH, EA
[J].
CHEMICAL PHYSICS LETTERS,
1984,
107
(01)
: 72
-
76
[5]
MOLECULAR-BASIS SET GENERATION - ACCURATE SLATER BASIS-SETS FOR LIH- GROUND AND EXCITED-STATE AND LI-2-GROUND STATE
ADAMOWICZ, L
论文数:
0
引用数:
0
h-index:
0
ADAMOWICZ, L
MCCULLOUGH, EA
论文数:
0
引用数:
0
h-index:
0
MCCULLOUGH, EA
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1983,
24
(01)
: 19
-
23
[6]
RELAXATION METHODS FOR GAUGE FIELD EQUILIBRIUM EQUATIONS
ADLER, SL
论文数:
0
引用数:
0
h-index:
0
机构:
HEBREW UNIV JERUSALEM,RACAH INST PHYS,JERUSALEM,ISRAEL
HEBREW UNIV JERUSALEM,RACAH INST PHYS,JERUSALEM,ISRAEL
ADLER, SL
PIRAN, T
论文数:
0
引用数:
0
h-index:
0
机构:
HEBREW UNIV JERUSALEM,RACAH INST PHYS,JERUSALEM,ISRAEL
HEBREW UNIV JERUSALEM,RACAH INST PHYS,JERUSALEM,ISRAEL
PIRAN, T
[J].
REVIEWS OF MODERN PHYSICS,
1984,
56
(01)
: 1
-
40
[7]
SCF AND CI CALCULATIONS OF THE ONE-ELECTRON PROPERTIES, POLARIZABILITIES AND POLARIZABILITY DERIVATIVES OF THE NITROGEN MOLECULE
AMOS, RD
论文数:
0
引用数:
0
h-index:
0
AMOS, RD
[J].
MOLECULAR PHYSICS,
1980,
39
(01)
: 1
-
14
[8]
BAERENDS EJ, 1985, J MOL STRUC-THEOCHEM, V26, P147, DOI 10.1016/0166-1280(85)85013-2
[9]
NUMERICAL HARTREE-FOCK-SLATER CALCULATIONS ON DIATOMIC-MOLECULES - ADDENDUM
BECKE, AD
论文数:
0
引用数:
0
h-index:
0
BECKE, AD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1983,
78
(07)
: 4787
-
4788
[10]
LOCAL EXCHANGE-CORRELATION APPROXIMATIONS AND 1ST-ROW MOLECULAR DISSOCIATION-ENERGIES
BECKE, AD
论文数:
0
引用数:
0
h-index:
0
机构:
DALHOUSIE UNIV,DEPT MED,HALIFAX B3H 4J3,NS,CANADA
DALHOUSIE UNIV,DEPT MED,HALIFAX B3H 4J3,NS,CANADA
BECKE, AD
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1985,
27
(05)
: 585
-
594
←
1
2
3
4
5
6
7
8
9
10
→