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PSEUDOPOTENTIALS FOR MAIN GROUP ELEMENTS (IIIA THROUGH VIIA)
被引:426
作者
:
IGELMANN, G
论文数:
0
引用数:
0
h-index:
0
IGELMANN, G
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
机构
:
来源
:
MOLECULAR PHYSICS
|
1988年
/ 65卷
/ 06期
关键词
:
D O I
:
10.1080/00268978800101811
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:1321 / 1328
页数:8
相关论文
共 29 条
[1]
PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
BACHELET, GB
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BACHELET, GB
HAMANN, DR
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
HAMANN, DR
SCHLUTER, M
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
SCHLUTER, M
[J].
PHYSICAL REVIEW B,
1982,
26
(08):
: 4199
-
4228
[2]
NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS
BARTHELAT, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
BARTHELAT, JC
DURAND, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
DURAND, P
SERAFINI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
SERAFINI, A
[J].
MOLECULAR PHYSICS,
1977,
33
(01)
: 159
-
180
[3]
Bashkin S., 1975, ATOMIC ENERGY LEVELS
[4]
RELATIVISTIC EFFECTS IN CHEMICAL-SYSTEMS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
CHRISTIANSEN, PA
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ERMLER, WC
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
PITZER, KS
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1985,
36
: 407
-
432
[5]
GROUND AND LOW-LYING EXCITED POTENTIAL CURVES OF SO - PSEUDOPOTENTIAL MULTI-STRUCTURE VALENCE-BOND CALCULATION
DIXON, RN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
DIXON, RN
TASKER, PW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
TASKER, PW
BALINTKURTI, GG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
BALINTKURTI, GG
[J].
MOLECULAR PHYSICS,
1977,
34
(05)
: 1455
-
1471
[6]
ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 1ST-ROW TRANSITION-ELEMENTS
DOLG, M
论文数:
0
引用数:
0
h-index:
0
DOLG, M
WEDIG, U
论文数:
0
引用数:
0
h-index:
0
WEDIG, U
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(02)
: 866
-
872
[7]
FISCHER CF, 1977, PROGRAM MCHF77
[8]
A PROPER ACCOUNT OF CORE-POLARIZATION WITH PSEUDOPOTENTIALS - SINGLE VALENCE-ELECTRON ALKALI COMPOUNDS
FUENTEALBA, P
论文数:
0
引用数:
0
h-index:
0
FUENTEALBA, P
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
VONSZENTPALY, L
论文数:
0
引用数:
0
h-index:
0
VONSZENTPALY, L
[J].
CHEMICAL PHYSICS LETTERS,
1982,
89
(05)
: 418
-
422
[9]
PSEUDOPOTENTIAL CALCULATIONS FOR ALKALINE-EARTH ATOMS
FUENTEALBA, P
论文数:
0
引用数:
0
h-index:
0
FUENTEALBA, P
VONSZENTPALY, L
论文数:
0
引用数:
0
h-index:
0
VONSZENTPALY, L
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
[J].
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1985,
18
(07)
: 1287
-
1296
[10]
FUENTEALBA P, 1984, THESIS STUTTGART
←
1
2
3
→
共 29 条
[1]
PSEUDOPOTENTIALS THAT WORK - FROM H TO PU
BACHELET, GB
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BACHELET, GB
HAMANN, DR
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
HAMANN, DR
SCHLUTER, M
论文数:
0
引用数:
0
h-index:
0
机构:
BELL TEL LABS INC,MURRAY HILL,NJ 07974
BELL TEL LABS INC,MURRAY HILL,NJ 07974
SCHLUTER, M
[J].
PHYSICAL REVIEW B,
1982,
26
(08):
: 4199
-
4228
[2]
NON-EMPIRICAL PSEUDOPOTENTIALS FOR MOLECULAR CALCULATIONS .1. PSIBMOL ALGORITHM AND TEST CALCULATIONS
BARTHELAT, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
BARTHELAT, JC
DURAND, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
DURAND, P
SERAFINI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TOULOUSE 3,PHYS QUANT LAB,F-31077 TOULOUSE,FRANCE
SERAFINI, A
[J].
MOLECULAR PHYSICS,
1977,
33
(01)
: 159
-
180
[3]
Bashkin S., 1975, ATOMIC ENERGY LEVELS
[4]
RELATIVISTIC EFFECTS IN CHEMICAL-SYSTEMS
CHRISTIANSEN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
CHRISTIANSEN, PA
ERMLER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
ERMLER, WC
PITZER, KS
论文数:
0
引用数:
0
h-index:
0
机构:
STEVENS INST TECHNOL,DEPT CHEM & CHEM ENGN,HOBOKEN,NJ 07030
PITZER, KS
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1985,
36
: 407
-
432
[5]
GROUND AND LOW-LYING EXCITED POTENTIAL CURVES OF SO - PSEUDOPOTENTIAL MULTI-STRUCTURE VALENCE-BOND CALCULATION
DIXON, RN
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
DIXON, RN
TASKER, PW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
TASKER, PW
BALINTKURTI, GG
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
BALINTKURTI, GG
[J].
MOLECULAR PHYSICS,
1977,
34
(05)
: 1455
-
1471
[6]
ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 1ST-ROW TRANSITION-ELEMENTS
DOLG, M
论文数:
0
引用数:
0
h-index:
0
DOLG, M
WEDIG, U
论文数:
0
引用数:
0
h-index:
0
WEDIG, U
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(02)
: 866
-
872
[7]
FISCHER CF, 1977, PROGRAM MCHF77
[8]
A PROPER ACCOUNT OF CORE-POLARIZATION WITH PSEUDOPOTENTIALS - SINGLE VALENCE-ELECTRON ALKALI COMPOUNDS
FUENTEALBA, P
论文数:
0
引用数:
0
h-index:
0
FUENTEALBA, P
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
VONSZENTPALY, L
论文数:
0
引用数:
0
h-index:
0
VONSZENTPALY, L
[J].
CHEMICAL PHYSICS LETTERS,
1982,
89
(05)
: 418
-
422
[9]
PSEUDOPOTENTIAL CALCULATIONS FOR ALKALINE-EARTH ATOMS
FUENTEALBA, P
论文数:
0
引用数:
0
h-index:
0
FUENTEALBA, P
VONSZENTPALY, L
论文数:
0
引用数:
0
h-index:
0
VONSZENTPALY, L
PREUSS, H
论文数:
0
引用数:
0
h-index:
0
PREUSS, H
STOLL, H
论文数:
0
引用数:
0
h-index:
0
STOLL, H
[J].
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS,
1985,
18
(07)
: 1287
-
1296
[10]
FUENTEALBA P, 1984, THESIS STUTTGART
←
1
2
3
→