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OPTIMIZATION OF A DISTRIBUTED GAUSSIAN-BASIS SET USING SIMULATED ANNEALING - APPLICATION TO THE ADIABATIC DYNAMICS OF THE SOLVATED ELECTRON
被引:100
作者
:
SPRIK, M
论文数:
0
引用数:
0
h-index:
0
SPRIK, M
KLEIN, ML
论文数:
0
引用数:
0
h-index:
0
KLEIN, ML
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1988年
/ 89卷
/ 03期
关键词
:
INTEGRAL MONTE-CARLO;
MOLECULAR-DYNAMICS;
EXCESS ELECTRONS;
WATER CLUSTERS;
LOCALIZATION;
SILICON;
SYSTEMS;
SURFACE;
D O I
:
10.1063/1.455156
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:1592 / 1607
页数:16
相关论文
共 36 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]
EQUILIBRIUM STRUCTURES AND FINITE TEMPERATURE PROPERTIES OF SILICON MICROCLUSTERS FROM ABINITIO MOLECULAR-DYNAMICS CALCULATIONS
BALLONE, P
论文数:
0
引用数:
0
h-index:
0
机构:
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
BALLONE, P
ANDREONI, W
论文数:
0
引用数:
0
h-index:
0
机构:
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
ANDREONI, W
CAR, R
论文数:
0
引用数:
0
h-index:
0
机构:
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
CAR, R
PARRINELLO, M
论文数:
0
引用数:
0
h-index:
0
机构:
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
PARRINELLO, M
[J].
PHYSICAL REVIEW LETTERS,
1988,
60
(04)
: 271
-
274
[3]
SURFACE-STATES OF EXCESS ELECTRONS ON WATER CLUSTERS
BARNETT, RN
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
BARNETT, RN
LANDMAN, U
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
LANDMAN, U
CLEVELAND, CL
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
CLEVELAND, CL
JORTNER, J
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
JORTNER, J
[J].
PHYSICAL REVIEW LETTERS,
1987,
59
(07)
: 811
-
814
[4]
ELECTRON LOCALIZATION IN WATER CLUSTERS .1. ELECTRON-WATER PSEUDOPOTENTIAL
BARNETT, RN
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
BARNETT, RN
LANDMAN, U
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
LANDMAN, U
CLEVELAND, CL
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
CLEVELAND, CL
JORTNER, J
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
JORTNER, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(07)
: 4421
-
4428
[5]
ELECTRON LOCALIZATION IN WATER CLUSTERS .2. SURFACE AND INTERNAL STATES
BARNETT, RN
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
BARNETT, RN
LANDMAN, U
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
LANDMAN, U
CLEVELAND, CL
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
CLEVELAND, CL
JORTNER, J
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
JORTNER, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(07)
: 4429
-
4447
[6]
BERNE BJ, 1986, ANNU REV PHYS CHEM, V37, P401
[7]
STRUCTURAL, DYNAMICAL, AND ELECTRONIC-PROPERTIES OF AMORPHOUS-SILICON - AN ABINITIO MOLECULAR-DYNAMICS STUDY
CAR, R
论文数:
0
引用数:
0
h-index:
0
CAR, R
PARRINELLO, M
论文数:
0
引用数:
0
h-index:
0
PARRINELLO, M
[J].
PHYSICAL REVIEW LETTERS,
1988,
60
(03)
: 204
-
207
[8]
UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY
CAR, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRIESTE, DIPARTIMENTO FIS TEOR, I-34127 TRIESTE, ITALY
UNIV TRIESTE, DIPARTIMENTO FIS TEOR, I-34127 TRIESTE, ITALY
CAR, R
PARRINELLO, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRIESTE, DIPARTIMENTO FIS TEOR, I-34127 TRIESTE, ITALY
UNIV TRIESTE, DIPARTIMENTO FIS TEOR, I-34127 TRIESTE, ITALY
PARRINELLO, M
[J].
PHYSICAL REVIEW LETTERS,
1985,
55
(22)
: 2471
-
2474
[9]
MOLECULAR-DYNAMICS OF RIGID SYSTEMS IN CARTESIAN COORDINATES A GENERAL FORMULATION
CICCOTTI, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
CICCOTTI, G
FERRARIO, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
FERRARIO, M
RYCKAERT, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
RYCKAERT, JP
[J].
MOLECULAR PHYSICS,
1982,
47
(06)
: 1253
-
1264
[10]
PATH INTEGRAL MONTE-CARLO STUDIES OF THE BEHAVIOR OF EXCESS ELECTRONS IN SIMPLE FLUIDS
COKER, DF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARYLAND, INST PHYS SCI & TECHNOL, COLLEGE PK, MD 20742 USA
COKER, DF
BERNE, BJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARYLAND, INST PHYS SCI & TECHNOL, COLLEGE PK, MD 20742 USA
BERNE, BJ
THIRUMALAI, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARYLAND, INST PHYS SCI & TECHNOL, COLLEGE PK, MD 20742 USA
THIRUMALAI, D
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(10)
: 5689
-
5702
←
1
2
3
4
→
共 36 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]
EQUILIBRIUM STRUCTURES AND FINITE TEMPERATURE PROPERTIES OF SILICON MICROCLUSTERS FROM ABINITIO MOLECULAR-DYNAMICS CALCULATIONS
BALLONE, P
论文数:
0
引用数:
0
h-index:
0
机构:
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
BALLONE, P
ANDREONI, W
论文数:
0
引用数:
0
h-index:
0
机构:
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
ANDREONI, W
CAR, R
论文数:
0
引用数:
0
h-index:
0
机构:
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
CAR, R
PARRINELLO, M
论文数:
0
引用数:
0
h-index:
0
机构:
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
INT SCH ADV STUDIES,I-34014 TRIESTE,ITALY
PARRINELLO, M
[J].
PHYSICAL REVIEW LETTERS,
1988,
60
(04)
: 271
-
274
[3]
SURFACE-STATES OF EXCESS ELECTRONS ON WATER CLUSTERS
BARNETT, RN
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
BARNETT, RN
LANDMAN, U
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
LANDMAN, U
CLEVELAND, CL
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
CLEVELAND, CL
JORTNER, J
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
JORTNER, J
[J].
PHYSICAL REVIEW LETTERS,
1987,
59
(07)
: 811
-
814
[4]
ELECTRON LOCALIZATION IN WATER CLUSTERS .1. ELECTRON-WATER PSEUDOPOTENTIAL
BARNETT, RN
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
BARNETT, RN
LANDMAN, U
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
LANDMAN, U
CLEVELAND, CL
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
CLEVELAND, CL
JORTNER, J
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
JORTNER, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(07)
: 4421
-
4428
[5]
ELECTRON LOCALIZATION IN WATER CLUSTERS .2. SURFACE AND INTERNAL STATES
BARNETT, RN
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
BARNETT, RN
LANDMAN, U
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
LANDMAN, U
CLEVELAND, CL
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
CLEVELAND, CL
JORTNER, J
论文数:
0
引用数:
0
h-index:
0
机构:
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
TEL AVIV UNIV,SCH CHEM,IL-69978 TEL AVIV,ISRAEL
JORTNER, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(07)
: 4429
-
4447
[6]
BERNE BJ, 1986, ANNU REV PHYS CHEM, V37, P401
[7]
STRUCTURAL, DYNAMICAL, AND ELECTRONIC-PROPERTIES OF AMORPHOUS-SILICON - AN ABINITIO MOLECULAR-DYNAMICS STUDY
CAR, R
论文数:
0
引用数:
0
h-index:
0
CAR, R
PARRINELLO, M
论文数:
0
引用数:
0
h-index:
0
PARRINELLO, M
[J].
PHYSICAL REVIEW LETTERS,
1988,
60
(03)
: 204
-
207
[8]
UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY
CAR, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRIESTE, DIPARTIMENTO FIS TEOR, I-34127 TRIESTE, ITALY
UNIV TRIESTE, DIPARTIMENTO FIS TEOR, I-34127 TRIESTE, ITALY
CAR, R
PARRINELLO, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TRIESTE, DIPARTIMENTO FIS TEOR, I-34127 TRIESTE, ITALY
UNIV TRIESTE, DIPARTIMENTO FIS TEOR, I-34127 TRIESTE, ITALY
PARRINELLO, M
[J].
PHYSICAL REVIEW LETTERS,
1985,
55
(22)
: 2471
-
2474
[9]
MOLECULAR-DYNAMICS OF RIGID SYSTEMS IN CARTESIAN COORDINATES A GENERAL FORMULATION
CICCOTTI, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
CICCOTTI, G
FERRARIO, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
FERRARIO, M
RYCKAERT, JP
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
UNIV LIBRE BRUXELLES,POOL PHYS,B-1050 BRUSSELS,BELGIUM
RYCKAERT, JP
[J].
MOLECULAR PHYSICS,
1982,
47
(06)
: 1253
-
1264
[10]
PATH INTEGRAL MONTE-CARLO STUDIES OF THE BEHAVIOR OF EXCESS ELECTRONS IN SIMPLE FLUIDS
COKER, DF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARYLAND, INST PHYS SCI & TECHNOL, COLLEGE PK, MD 20742 USA
COKER, DF
BERNE, BJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARYLAND, INST PHYS SCI & TECHNOL, COLLEGE PK, MD 20742 USA
BERNE, BJ
THIRUMALAI, D
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV MARYLAND, INST PHYS SCI & TECHNOL, COLLEGE PK, MD 20742 USA
THIRUMALAI, D
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(10)
: 5689
-
5702
←
1
2
3
4
→