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AN ERROR ANALYSIS FOR HARTREE-FOCK CRYSTAL ORBITAL CALCULATIONS
被引:33
作者
:
SUHAI, S
论文数:
0
引用数:
0
h-index:
0
SUHAI, S
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
BAGUS, PS
LADIK, J
论文数:
0
引用数:
0
h-index:
0
LADIK, J
机构
:
来源
:
CHEMICAL PHYSICS
|
1982年
/ 68卷
/ 03期
关键词
:
D O I
:
10.1016/0301-0104(82)87055-9
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:467 / 471
页数:5
相关论文
共 13 条
[11]
ON EFFICIENT INTEGRATION TECHNIQUES FOR OSCILLATORY INTEGRALS IN PERIODIC SYSTEM CALCULATIONS
[J].
SCHNEIDER, WJ
论文数:
0
引用数:
0
h-index:
0
SCHNEIDER, WJ
;
LADIK, JJ
论文数:
0
引用数:
0
h-index:
0
LADIK, JJ
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1981,
2
(04)
:376
-383
[12]
A PRIORI ELECTRONIC-STRUCTURE CALCULATIONS ON HIGHLY CONDUCTING POLYMERS .1. HARTREE-FOCK STUDIES ON CIS-POLYACETYLENES AND TRANS-POLYACETYLENES (POLYENES)
[J].
SUHAI, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,LAB NATL FDN CANC RES,CHAIR THEORET CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,LAB NATL FDN CANC RES,CHAIR THEORET CHEM,D-8520 ERLANGEN,FED REP GER
SUHAI, S
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(08)
:3843
-3853
[13]
SUHAI S, UNPUB J CHEM PHYS
←
1
2
→
共 13 条
[11]
ON EFFICIENT INTEGRATION TECHNIQUES FOR OSCILLATORY INTEGRALS IN PERIODIC SYSTEM CALCULATIONS
[J].
SCHNEIDER, WJ
论文数:
0
引用数:
0
h-index:
0
SCHNEIDER, WJ
;
LADIK, JJ
论文数:
0
引用数:
0
h-index:
0
LADIK, JJ
.
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1981,
2
(04)
:376
-383
[12]
A PRIORI ELECTRONIC-STRUCTURE CALCULATIONS ON HIGHLY CONDUCTING POLYMERS .1. HARTREE-FOCK STUDIES ON CIS-POLYACETYLENES AND TRANS-POLYACETYLENES (POLYENES)
[J].
SUHAI, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG,LAB NATL FDN CANC RES,CHAIR THEORET CHEM,D-8520 ERLANGEN,FED REP GER
UNIV ERLANGEN NURNBERG,LAB NATL FDN CANC RES,CHAIR THEORET CHEM,D-8520 ERLANGEN,FED REP GER
SUHAI, S
.
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(08)
:3843
-3853
[13]
SUHAI S, UNPUB J CHEM PHYS
←
1
2
→