Dirk V. Porezag

发表

Strategies for massively parallel local-orbital-based electronic structure methods

Jens Kortus, Mark R. Pederson, Dirk V. Porezag, 2000 .

Electronic and vibrational spectroscopy of fullerene-based materials

Mark R. Pederson, Dirk V. Porezag, Joe L. Feldman, 1995, Optics & Photonics.

Boron-nitrogen analogues of the fullerenes: electronic and structural properties

Patrick W. Fowler, Dirk V. Porezag, Gotthard Seifert, 1997 .

A method and results for realistic molecular dynamic simulation of hydrogenated amorphous carbon structures using a scheme consisting of a linear combination of atomic orbitals with the local-density approximation

Dirk V. Porezag, Gotthard Seifert, G. Seifert, 1992 .

Self Consistent-Charge Density-Functional Tight-Binding Method for Simulations of Biological Molecules

Sándor Suhai, Dirk V. Porezag, Gotthard Seifert, 1998 .

Theoretical investigations of homo- and heteronuclear bridged fullerene oligomers

Thomas Frauenheim, Mark R. Pederson, Dirk V. Porezag, 1997 .

Stability and electronic structure of GaN nanotubes from density-functional calculations

Thomas Frauenheim, Young Hee Lee, Dirk V. Porezag, 1999 .

VIBRATIONAL FREQUENCIES AND INTENSITIES OF SMALL MOLECULES: ALL-ELECTRON, PSEUDOPOTENTIAL, AND MIXED-POTENTIAL METHODOLOGIES

Koblar A. Jackson, Mark R. Pederson, Dirk V. Porezag, 1998 .

A Self‐Consistent Charge Density‐Functional Based Tight‐Binding Method for Predictive Materials Simulations in Physics, Chemistry and Biology

Sándor Suhai, Dirk V. Porezag, Gotthard Seifert, 2000 .

Optimization of Gaussian basis sets for density-functional calculations

Mark R. Pederson, Dirk V. Porezag, M. Pederson, 1999 .

A Selfconsistent-Charge Density-Functional Tight-Binding Scheme

Sándor Suhai, Dirk V. Porezag, Gotthard Seifert, 1997 .