화학공학소재연구정보센터
검색결과 : 17건
No. Article
1 Ab initio study of ladder-type polymers: Polythiophene and polypyrrole
Pesant S, Boulanger P, Cote M, Ernzerhof M
Chemical Physics Letters, 450(4-6), 329, 2008
2 Current-dependent extension of the Perdew-Burke-Ernzerhof exchange-correlation functional
Maximoff SN, Ernzerhof M, Scuseria GE
Journal of Chemical Physics, 120(5), 2105, 2004
3 Zero-voltage conductance of short gold nanowires
Zhuang M, Ernzerhof M
Journal of Chemical Physics, 120(10), 4921, 2004
4 Local hybrid functionals
Jaramillo J, Scuseria GE, Ernzerhof M
Journal of Chemical Physics, 118(3), 1068, 2003
5 Hybrid functionals based on a screened Coulomb potential
Heyd J, Scuseria GE, Ernzerhof M
Journal of Chemical Physics, 118(18), 8207, 2003
6 Current transport through molecular electronic devices
Ernzerhof M, Zhuang M
Journal of Chemical Physics, 119(8), 4134, 2003
7 Functionals of quantities other than the electron density: Approximations to the exchange energy
Ernzerhof M, Maximoff SN, Scuseria GE
Journal of Chemical Physics, 116(10), 3980, 2002
8 Functionals of the square kinetic energy density
Maximoff SN, Ernzerhof M, Scuseria GE
Journal of Chemical Physics, 117(7), 3074, 2002
9 The meta-GGA functional: Thermochemistry with a kinetic energy density dependent exchange-correlation functional
Adamo C, Ernzerhof M, Scuseria GE
Journal of Chemical Physics, 112(6), 2643, 2000
10 The slowly-varying noninteracting electron gas in terms of its kinetic energy density
Ernzerhof M, Scuseria GE
Journal of Chemical Physics, 112(12), 5270, 2000