Robert M. Irelan
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Research Subjects
Robert M. Irelan has a total of 2 co-authors. Here are the top co-authors by number of shared publications:
Gustavo E. Scuseria
Rice University 1 Department of Chemistry Houston, Texas 77005-1892, USA
1 shared publicationThomas M. Henderson
Rice University 1 Department of Chemistry Houston, Texas 77005-1892, USA
1 shared publication
Latest Publications
- 2 September 2011
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 135 (9) , 094105
Long-range-corrected hybrids using a range-separated Perdew-Burke-Ernzerhof functional and random phase approximation correlation
We build on methods combining a short-range density functional approximation with a long-range random phase approximation [B. G. Janesko, T. M. Henderson, and G. E. Scuseria, J. Chem. Phys. 130, 081105 (2009)] or second-order screened exchange [J. Paier et al., J. Chem. Phys. 132, 094103 (2010)] by replacing the range-separated local density approximation functional with a range-separated generalized gradient approximation functional in the short range. We present benchmark results that show a marked improvement in the thermodynamic tests over the previous local density approximation-based methods while retaining those methods’ excellent performance in van der Waals interactions.
- 2 September 2011
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 135 (9) , 094105
Long-range-corrected hybrids using a range-separated Perdew-Burke-Ernzerhof functional and random phase approximation correlation
We build on methods combining a short-range density functional approximation with a long-range random phase approximation [B. G. Janesko, T. M. Henderson, and G. E. Scuseria, J. Chem. Phys. 130, 081105 (2009)] or second-order screened exchange [J. Paier et al., J. Chem. Phys. 132, 094103 (2010)] by replacing the range-separated local density approximation functional with a range-separated generalized gradient approximation functional in the short range. We present benchmark results that show a marked improvement in the thermodynamic tests over the previous local density approximation-based methods while retaining those methods’ excellent performance in van der Waals interactions.