ELECTRON PAIRING IN DILUTE LIQUID-METAL METAL HALIDE SOLUTIONS

被引：47

作者：

SELLONI, A

CAR, R

PARRINELLO, M

CARNEVALI, P

机构：

[1] INT SCH ADV STUDIES,TRIESTE,ITALY

[2] IBM CORP,EUROPEAN CTR SCI & ENGN COMP,ROMA,ITALY

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1987年 / 91卷 / 19期

关键词：

D O I：

10.1021/j100303a013

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

页码：4947 / 4949

页数：3

共 16 条

[1] UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].

CAR, R ;

PARRINELLO, M .

PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474

[2]

CAR R, IN PRESS 1ST P NEC S

[3] GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].

CEPERLEY, DM ;

ALDER, BJ .

PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569

[4] SOLUTION OF THE SCHRODINGER-EQUATION BY A SPECTRAL METHOD [J].

FEIT, MD ;

FLECK, JA ;

STEIGER, A .

JOURNAL OF COMPUTATIONAL PHYSICS, 1982, 47 (03) :412-433

[5] COLOR-CENTERS AND CLUSTERING IN LIQUID ALKALI-METAL ALKALI-HALIDE SOLUTIONS APPROACHING THE NONMETAL METAL TRANSITION - AN OPTICAL STUDY [J].

FREYLAND, W ;

GARBADE, K ;

HEYER, H ;

PFEIFFER, E .

JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (17) :3745-3749

[6] EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM [J].

GUNNARSSON, O ;

LUNDQVIST, BI .

PHYSICAL REVIEW B, 1976, 13 (10) :4274-4298

[7]

Lundqvist S., 1983, THEORY INHOMOGENEOUS

[8] ELECTRON-SPIN RESONANCE STUDIES OF ELECTRON LOCALIZATION IN MOLTEN ALKALI-METAL ALKALI-HALIDE SOLUTIONS [J].

NICOLOSO, N ;

FREYLAND, W .

JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (11) :1997-2003

[9] MAGNETIC-SUSCEPTIBILITY OF LIQUID ALKALI METAL-ALKALI HALIDE SOLUTIONS [J].

NICOLOSO, N ;

FREYLAND, W .

ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-WIESBADEN, 1983, 135 :39-49

[10] STUDY OF AN F-CENTER IN MOLTEN KCL [J].

PARRINELLO, M ;

RAHMAN, A .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (02) :860-867

← 1 2 →