✦ LIBER ✦

Density functional calculation of work function using charged slab systems

✍ Scribed by Kajita, Seiji; Nakayama, Takashi; Yamauchi, Jun

Book ID: 120017775
Publisher: Institute of Physics
Year: 2006
Tongue: English
Weight: 111 KB
Volume: 29
Category: Article
ISSN: 1742-6588
DOI: 10.1088/1742-6596/29/1/023

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Self-Consistent Calculation of Work Func

Self-Consistent Calculation of Work Function, Charge Densities, and Local Densities of States for Cu(100)

✍ Gay, J.; Smith, J.; Arlinghaus, F. 📂 Article 📅 1977 🏛 The American Physical Society 🌐 English ⚖ 314 KB

Ab Initio Calculations on Heteroatomic S

Ab Initio Calculations on Heteroatomic Systems Using Density Functional Theory and Diffuse Basis Functions

✍ Warner, Philip M. 📂 Article 📅 1996 🏛 American Chemical Society 🌐 English ⚖ 104 KB

Calculation of Optical Rotation Using De

Calculation of Optical Rotation Using Density Functional Theory

✍ Stephens, P. J.; Devlin, F. J.; Cheeseman, J. R.; Frisch, M. J. 📂 Article 📅 2001 🏛 American Chemical Society 🌐 English ⚖ 164 KB

Calculation of the electron work functio

Calculation of the electron work function at metal surfaces by a density functional method

✍ M. V. Mamonova; V. V. Prudnikov 📂 Article 📅 1998 🏛 Springer 🌐 English ⚖ 388 KB

Calculated properties of neutral and cha

Calculated properties of neutral and charged AlnComclusters by density functional theory

✍ G. Ma; L. Guo 📂 Article 📅 2012 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 497 KB

Calculation of molecular electrostatic p

Calculation of molecular electrostatic potentials and Fukui functions using density functional methods

✍ Frank De Proft; Jan M.L. Martin; Paul Geerlings 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 618 KB

The performance of different density functional methods in the calculation of molecular electrostatic potentials and Fukui funcliions, i.e. two reactivity indices based on the electron density, is investigated. It turns out, as a whole, that the exact exchange functionals B3LYP and B3PW91 yield resu