Screened hybrid density functionals applied to solids (vol 124, pg 154709 2006)

被引:1398
作者
Paier, J.
Marsman, M.
Hummer, K.
Kresse, G.
Gerber, I. C.
Angyan, J. G.
机构
[1] Univ Vienna, Inst Mat Phys, A-1090 Vienna, Austria
[2] Ctr Computat Mat Sci, A-1090 Vienna, Austria
[3] Univ Henri Poincare, Lab Cristallog & Modelisat Mat Mineraux & Biol, UMR 7036, F-54506 Vandoeuvre Les Nancy, France
关键词
D O I
10.1063/1.2403866
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
页数:2
相关论文
共 16 条
[1]  
Adachi S., 1999, OPTICAL PROPERTIES C
[2]  
Chase M., 1998, NIST JANAF THEMOCHEM, V4th edn
[3]  
FRISCH MJ, 2003, GAUSSIAN DEV VERSION
[4]  
HEYD J, 2004, THESIS RICE U
[5]   Hybrid functionals based on a screened Coulomb potential [J].
Heyd, J ;
Scuseria, GE ;
Ernzerhof, M .
JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (18) :8207-8215
[6]   INVESTIGATION OF SECOND INDIRECT TRANSITION OF SILICON BY MEANS OF PHOTOCONDUCTIVITY MEASUREMENTS [J].
HULTHEN, R ;
NILSSON, NG .
SOLID STATE COMMUNICATIONS, 1976, 18 (9-10) :1341-1343
[7]  
KRUKAU AV, IN PRESS J CHEM PHYS
[8]   Exact-exchange density-functional calculations for noble-gas solids [J].
Magyar, RJ ;
Fleszar, A ;
Gross, EKU .
PHYSICAL REVIEW B, 2004, 69 (04)
[9]   INVERSE-PHOTOEMISSION STUDY OF GE(100), SI(100), AND GAAS(100) - BULK BANDS AND SURFACE-STATES [J].
ORTEGA, JE ;
HIMPSEL, FJ .
PHYSICAL REVIEW B, 1993, 47 (04) :2130-2137
[10]   Screened hybrid density functionals applied to solids (vol 124, pg 154709 2006) [J].
Paier, J. ;
Marsman, M. ;
Hummer, K. ;
Kresse, G. ;
Gerber, I. C. ;
Angyan, J. G. .
JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (24)