THE UNIFIED APPROACH TO DENSITY FUNCTIONAL AND MOLECULAR-DYNAMICS IN REAL SPACE

被引：36

作者：

CAR, R

PARRINELLO, M

机构：

[1] Int Sch for Advanced Studies, Trieste, Italy, Int Sch for Advanced Studies, Trieste, Italy

来源：

SOLID STATE COMMUNICATIONS | 1987年 / 62卷 / 06期

关键词：

D O I：

10.1016/0038-1098(87)91043-X

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

PHYSICS

引用

收藏

页码：403 / 405

页数：3

相关论文

共 6 条

[1] UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY
CAR, R
PARRINELLO, M
[J]. PHYSICAL REVIEW LETTERS, 1985, 55 (22) : 2471 - 2474
[2] CAR R, 1986, 18 P INT C PHYS SEM
[3] CAR R, 1986, IN PRESS 1ST P NEC S
[4] SELF-CONSISTENT EQUATIONS INCLUDING EXCHANGE AND CORRELATION EFFECTS
KOHN, W
SHAM, LJ
[J]. PHYSICAL REVIEW, 1965, 140 (4A): : 1133 - &
[5] AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY
PULAY, P
[J]. MOLECULAR PHYSICS, 1969, 17 (02) : 197 - &
[6] WHITE SR, 1986, PHYS REV LETT, V56, P413