Volume 5; Issue 4

1

“Mindless” DFT Benchmarking

Year:
2009
Language:
english
File:
PDF, 222 KB
english, 2009
10

Validity of the Extended Koopmans’ Theorem

Year:
2009
Language:
english
File:
PDF, 81 KB
english, 2009
14

Water Dimer Cation: Density Functional Theory vs Ab Initio Theory

Year:
2009
Language:
english
File:
PDF, 114 KB
english, 2009
15

Can Silicon Carbide Nanotubes Sense Carbon Dioxide?

Year:
2009
Language:
english
File:
PDF, 1.68 MB
english, 2009
17

Transferable Coarse-Grained Models for Ionic Liquids

Year:
2009
Language:
english
File:
PDF, 568 KB
english, 2009
20

Computational DFT Study of Ruthenium Tetracarbonyl Polymer

Year:
2009
Language:
english
File:
PDF, 1.14 MB
english, 2009
29

A Single Reference Perturbation Theory beyond the Møller−Plesset Partition

Year:
2009
Language:
english
File:
PDF, 87 KB
english, 2009
35

The Many-Body Exchange-Correlation Hole at Metal Surfaces

Year:
2009
Language:
english
File:
PDF, 166 KB
english, 2009
42

Potential-Driven Adiabatic Connection in Density Functional Theory

Year:
2009
Language:
english
File:
PDF, 86 KB
english, 2009