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MULTI-ROOT CONFIGURATION-INTERACTION CALCULATIONS
被引:127
作者
:
HANDY, NC
论文数:
0
引用数:
0
h-index:
0
HANDY, NC
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1980年
/ 74卷
/ 02期
关键词
:
D O I
:
10.1016/0009-2614(80)85158-X
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:280 / 283
页数:4
相关论文
共 13 条
[1]
GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
BROOKS, BR
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(11)
: 5092
-
5106
[2]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
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[3]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
: 716
-
+
[4]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(08)
: 3958
-
&
[5]
LAIDIG WD, UNPUBLISHED
[6]
ALGORITHM FOR DIAGONALIZATION OF LARGE MATRICES
NESBET, RK
论文数:
0
引用数:
0
h-index:
0
NESBET, RK
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(01)
: 311
-
&
[7]
NEW METHOD FOR LARGE-SCALE CI CALCULATIONS
ROOS, B
论文数:
0
引用数:
0
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ROOS, B
[J].
CHEMICAL PHYSICS LETTERS,
1972,
15
(02)
: 153
-
&
[8]
DIRECT CI METHOD WITH A MULTICONFIGURATIONAL REFERENCE STATE
ROOS, BO
论文数:
0
引用数:
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机构:
INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN
INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN
ROOS, BO
SIEGBAHN, PEM
论文数:
0
引用数:
0
h-index:
0
机构:
INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN
INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN
SIEGBAHN, PEM
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1980,
17
(03)
: 485
-
500
[9]
ITERATIVE CALCULATION OF SEVERAL OF LOWEST OR HIGHEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF VERY LARGE SYMMETRIC MATRICES
SHAVITT, I
论文数:
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引用数:
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SHAVITT, I
BENDER, CF
论文数:
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BATTELLE MEM INST,COLUMBUS,OH 43201
BENDER, CF
PIPANO, A
论文数:
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BATTELLE MEM INST,COLUMBUS,OH 43201
PIPANO, A
HOSTENY, RP
论文数:
0
引用数:
0
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0
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BATTELLE MEM INST,COLUMBUS,OH 43201
HOSTENY, RP
[J].
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1973,
11
(01)
: 90
-
108
[10]
SHAVITT I, 1978, INT J QUANTUM CHEM, V12, P5
←
1
2
→
共 13 条
[1]
GRAPHICAL UNITARY GROUP-APPROACH TO THE ELECTRON CORRELATION PROBLEM - METHODS AND PRELIMINARY APPLICATIONS
BROOKS, BR
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
BROOKS, BR
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, University of California, Berkeley
SCHAEFER, HF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1979,
70
(11)
: 5092
-
5106
[2]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(07)
: 2823
-
+
[3]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
: 716
-
+
[4]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .4. REPRESENTATION OF POLARIZATION FUNCTIONS FOR FIRST ROW ATOMS AND HYDROGEN
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(08)
: 3958
-
&
[5]
LAIDIG WD, UNPUBLISHED
[6]
ALGORITHM FOR DIAGONALIZATION OF LARGE MATRICES
NESBET, RK
论文数:
0
引用数:
0
h-index:
0
NESBET, RK
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(01)
: 311
-
&
[7]
NEW METHOD FOR LARGE-SCALE CI CALCULATIONS
ROOS, B
论文数:
0
引用数:
0
h-index:
0
ROOS, B
[J].
CHEMICAL PHYSICS LETTERS,
1972,
15
(02)
: 153
-
&
[8]
DIRECT CI METHOD WITH A MULTICONFIGURATIONAL REFERENCE STATE
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
机构:
INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN
INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN
ROOS, BO
SIEGBAHN, PEM
论文数:
0
引用数:
0
h-index:
0
机构:
INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN
INST THEORET PHYS,S-11346 STOCKHOLM,SWEDEN
SIEGBAHN, PEM
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1980,
17
(03)
: 485
-
500
[9]
ITERATIVE CALCULATION OF SEVERAL OF LOWEST OR HIGHEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF VERY LARGE SYMMETRIC MATRICES
SHAVITT, I
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS,OH 43201
SHAVITT, I
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS,OH 43201
BENDER, CF
PIPANO, A
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS,OH 43201
PIPANO, A
HOSTENY, RP
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS,OH 43201
HOSTENY, RP
[J].
JOURNAL OF COMPUTATIONAL PHYSICS,
1973,
11
(01)
: 90
-
108
[10]
SHAVITT I, 1978, INT J QUANTUM CHEM, V12, P5
←
1
2
→