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THE IMPACT OF HIGHER POLARIZATION BASIS FUNCTIONS ON MOLECULAR AB-INITIO RESULTS .2. THE GROUND-STATES OF CO, N-2 NO, O-2, AND F2
被引:79
作者
:
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
JANKOWSKI, K
论文数:
0
引用数:
0
h-index:
0
JANKOWSKI, K
机构
:
来源
:
CHEMICAL PHYSICS
|
1985年
/ 98卷
/ 03期
关键词
:
D O I
:
10.1016/0301-0104(85)87094-4
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:381 / 386
页数:6
相关论文
共 18 条
[1]
THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
EHRHARDT, C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
: 890
-
898
[2]
IMPLEMENTATION OF AN ELECTRONIC-STRUCTURE PROGRAM SYSTEM ON THE CYBER 205
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
AHLRICHS, R
BOHM, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
BOHM, HJ
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
EHRHARDT, C
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHARF, P
SCHIFFER, H
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHIFFER, H
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
LISCHKA, H
SCHINDLER, M
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHINDLER, M
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1985,
6
(03)
: 200
-
208
[3]
AHLRICHS R, UNPUB J AM CHEM SOC
[4]
BECHERER R, UNPUB CHEM PHYS
[5]
BINKLEY JS, 1983, INT J QUANTUM CHEM S, V17, P331
[6]
CONFIGURATION INTERACTION CALCULATIONS FOR N2 MOLECULE AND ITS 3 LOWEST DISSOCIATION LIMITS
BUTSCHER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
BUTSCHER, W
SHIH, SK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
SHIH, SK
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
PEYERIMHOFF, SD
[J].
CHEMICAL PHYSICS LETTERS,
1977,
52
(03)
: 457
-
462
[7]
EHRHARDT C, UNPUB
[8]
ABINITIO STUDY OF VALENCE STATE POTENTIAL-ENERGY CURVES OF N2
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
ERMLER, WC
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
MCLEAN, AD
MULLIKEN, RS
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
MULLIKEN, RS
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(08)
: 1305
-
1314
[9]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .5. MOLECULAR THEORY OF BOND SEPARATION
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
RADOM, L
论文数:
0
引用数:
0
h-index:
0
RADOM, L
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(16)
: 4796
-
+
[10]
JANKOWSKI K, 1985, J CHEM PHYS, V82, P1412
←
1
2
→
共 18 条
[1]
THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
EHRHARDT, C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1985,
82
(02)
: 890
-
898
[2]
IMPLEMENTATION OF AN ELECTRONIC-STRUCTURE PROGRAM SYSTEM ON THE CYBER 205
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
AHLRICHS, R
BOHM, HJ
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
BOHM, HJ
EHRHARDT, C
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
EHRHARDT, C
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHARF, P
SCHIFFER, H
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHIFFER, H
LISCHKA, H
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
LISCHKA, H
SCHINDLER, M
论文数:
0
引用数:
0
h-index:
0
机构:
VIENNA UNIV, INST THEORET CHEM, A-1090 VIENNA, AUSTRIA
SCHINDLER, M
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1985,
6
(03)
: 200
-
208
[3]
AHLRICHS R, UNPUB J AM CHEM SOC
[4]
BECHERER R, UNPUB CHEM PHYS
[5]
BINKLEY JS, 1983, INT J QUANTUM CHEM S, V17, P331
[6]
CONFIGURATION INTERACTION CALCULATIONS FOR N2 MOLECULE AND ITS 3 LOWEST DISSOCIATION LIMITS
BUTSCHER, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
BUTSCHER, W
SHIH, SK
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
SHIH, SK
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
PEYERIMHOFF, SD
[J].
CHEMICAL PHYSICS LETTERS,
1977,
52
(03)
: 457
-
462
[7]
EHRHARDT C, UNPUB
[8]
ABINITIO STUDY OF VALENCE STATE POTENTIAL-ENERGY CURVES OF N2
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
ERMLER, WC
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
MCLEAN, AD
MULLIKEN, RS
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,RES LAB,SAN JOSE,CA 95193
MULLIKEN, RS
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1982,
86
(08)
: 1305
-
1314
[9]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .5. MOLECULAR THEORY OF BOND SEPARATION
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
RADOM, L
论文数:
0
引用数:
0
h-index:
0
RADOM, L
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(16)
: 4796
-
+
[10]
JANKOWSKI K, 1985, J CHEM PHYS, V82, P1412
←
1
2
→