ABINITIO PSEUDOPOTENTIAL LOCAL-DENSITY DESCRIPTION OF THE STRUCTURAL-PROPERTIES OF SMALL CARBON CLUSTERS

被引:10
作者
CHELIKOWSKY, JR [1 ]
CHOU, MY [1 ]
机构
[1] EXXON RES & ENGN CO, CORP RES SCI LABS, ANNANDALE, NJ 08801 USA
来源
PHYSICAL REVIEW B | 1988年 / 37卷 / 11期
关键词
D O I
10.1103/PhysRevB.37.6504
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:6504 / 6507
页数:4
相关论文
共 40 条
[1]   ORBITAL FORCES AND CHEMICAL BONDING IN DENSITY-FUNCTIONAL THEORY - APPLICATION TO 1ST-ROW DIMERS [J].
AVERILL, FW ;
PAINTER, GS .
PHYSICAL REVIEW B, 1986, 34 (04) :2088-2096
[2]   INTERATOMIC POTENTIALS FOR SILICON STRUCTURAL ENERGIES [J].
BISWAS, R ;
HAMANN, DR .
PHYSICAL REVIEW LETTERS, 1985, 55 (19) :2001-2004
[3]   STUDY OF THE GROUND-STATES AND IONIZATION ENERGIES OF H-2, C2, N2, F2, AND CO MOLECULES BY THE VARIATIONAL CELLULAR METHOD [J].
BRESCANSIN, LM ;
LEITE, JR ;
FERREIRA, LG .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) :4923-4930
[4]  
CHAN CT, 1986, PHYS REV B, V33, P8792, DOI 10.1103/PhysRevB.33.8792
[5]  
CHELIKOWSKY JR, 1984, INT J QUANTUM CHEM, P105
[6]   1ST-PRINCIPLES LINEAR COMBINATION OF ATOMIC ORBITALS METHOD FOR THE COHESIVE AND STRUCTURAL-PROPERTIES OF SOLIDS - APPLICATION TO DIAMOND [J].
CHELIKOWSKY, JR ;
LOUIE, SG .
PHYSICAL REVIEW B, 1984, 29 (06) :3470-3481
[7]   ELECTRONIC-PROPERTIES OF SURFACES [J].
COHEN, ML ;
LOUIE, SG .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1984, 35 :537-562
[8]   SELF-CONSISTENT PSEUDOPOTENTIAL METHOD FOR LOCALIZED CONFIGURATIONS - MOLECULES [J].
COHEN, ML ;
SCHLUTER, M ;
CHELIKOWSKY, JR ;
LOUIE, SG .
PHYSICAL REVIEW B, 1975, 12 (12) :5575-5579
[9]  
COHEN ML, 1985, ELECTRONIC STRUCTURE
[10]   STRUCTURES OF C-5 [J].
EWING, DW ;
PFEIFFER, GV .
CHEMICAL PHYSICS LETTERS, 1987, 134 (05) :413-417