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CONVERGENCE PROBLEM IN ABINITIO CRYSTAL ORBITAL CALCULATIONS
被引:51
作者
:
KARPFEN, A
论文数:
0
引用数:
0
h-index:
0
KARPFEN, A
机构
:
来源
:
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
|
1981年
/ 19卷
/ 06期
关键词
:
D O I
:
10.1002/qua.560190634
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:1207 / 1214
页数:8
相关论文
共 33 条
[31]
EFFICIENT PROCEDURE TO EVALUATE LONG-RANGE COULOMBIC INTERACTIONS WITHIN FRAMEWORK OF LCAO-CO METHOD FOR INFINITE POLYMERS
PIELA, L
论文数:
0
引用数:
0
h-index:
0
机构:
FAC UNIV NOTRE DAME PAIX,CHIM THEOR APPL LAB,B-5000 NAMUR,BELGIUM
FAC UNIV NOTRE DAME PAIX,CHIM THEOR APPL LAB,B-5000 NAMUR,BELGIUM
PIELA, L
DELHALLE, J
论文数:
0
引用数:
0
h-index:
0
机构:
FAC UNIV NOTRE DAME PAIX,CHIM THEOR APPL LAB,B-5000 NAMUR,BELGIUM
FAC UNIV NOTRE DAME PAIX,CHIM THEOR APPL LAB,B-5000 NAMUR,BELGIUM
DELHALLE, J
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1978,
13
(05)
: 605
-
617
[32]
A PRIORI ELECTRONIC-STRUCTURE CALCULATIONS ON HIGHLY CONDUCTING POLYMERS .1. HARTREE-FOCK STUDIES ON CIS-POLYACETYLENES AND TRANS-POLYACETYLENES (POLYENES)
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(08)
: 3843
-
3853
[33]
ELECTRONIC PROPERTIES OF SULFUR NITRIDE POLYMER(SN)X
SUHAI, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GOTTINGEN,LEHRSTUHL THEORET CHEM,D-3400 GOTTINGEN,FED REP GER
UNIV GOTTINGEN,LEHRSTUHL THEORET CHEM,D-3400 GOTTINGEN,FED REP GER
SUHAI, S
LADIK, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GOTTINGEN,LEHRSTUHL THEORET CHEM,D-3400 GOTTINGEN,FED REP GER
UNIV GOTTINGEN,LEHRSTUHL THEORET CHEM,D-3400 GOTTINGEN,FED REP GER
LADIK, J
[J].
SOLID STATE COMMUNICATIONS,
1977,
22
(04)
: 227
-
229
←
1
2
3
4
→
共 33 条
[31]
EFFICIENT PROCEDURE TO EVALUATE LONG-RANGE COULOMBIC INTERACTIONS WITHIN FRAMEWORK OF LCAO-CO METHOD FOR INFINITE POLYMERS
PIELA, L
论文数:
0
引用数:
0
h-index:
0
机构:
FAC UNIV NOTRE DAME PAIX,CHIM THEOR APPL LAB,B-5000 NAMUR,BELGIUM
FAC UNIV NOTRE DAME PAIX,CHIM THEOR APPL LAB,B-5000 NAMUR,BELGIUM
PIELA, L
DELHALLE, J
论文数:
0
引用数:
0
h-index:
0
机构:
FAC UNIV NOTRE DAME PAIX,CHIM THEOR APPL LAB,B-5000 NAMUR,BELGIUM
FAC UNIV NOTRE DAME PAIX,CHIM THEOR APPL LAB,B-5000 NAMUR,BELGIUM
DELHALLE, J
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1978,
13
(05)
: 605
-
617
[32]
A PRIORI ELECTRONIC-STRUCTURE CALCULATIONS ON HIGHLY CONDUCTING POLYMERS .1. HARTREE-FOCK STUDIES ON CIS-POLYACETYLENES AND TRANS-POLYACETYLENES (POLYENES)
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(08)
: 3843
-
3853
[33]
ELECTRONIC PROPERTIES OF SULFUR NITRIDE POLYMER(SN)X
SUHAI, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GOTTINGEN,LEHRSTUHL THEORET CHEM,D-3400 GOTTINGEN,FED REP GER
UNIV GOTTINGEN,LEHRSTUHL THEORET CHEM,D-3400 GOTTINGEN,FED REP GER
SUHAI, S
LADIK, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GOTTINGEN,LEHRSTUHL THEORET CHEM,D-3400 GOTTINGEN,FED REP GER
UNIV GOTTINGEN,LEHRSTUHL THEORET CHEM,D-3400 GOTTINGEN,FED REP GER
LADIK, J
[J].
SOLID STATE COMMUNICATIONS,
1977,
22
(04)
: 227
-
229
←
1
2
3
4
→