DOI: 10.1063/1.1729853. Electric fields with ultrasoft pseudo-potentials: Applications to benzene and anthracene

Electric fields with ultrasoft pseudo-potentials: Applications to benzene and anthracene

10.1063/1.1729853

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We present density-functional perturbation theory for electric field perturbations and ultra-soft pseudopotentials. Applications to benzene and anthracene molecules and surfaces are reported as examples. We point out several issues concerning the evaluation of the polarizability of molecules and slabs with periodic boundary conditions.

Bibliography

TÃ³bik, J., & Dal Corso, A. (2004). Electric fields with ultrasoft pseudo-potentials: Applications to benzene and anthracene. The Journal of Chemical Physics, 120(21), 9934â9941.

Authors 2

Jaroslav Tóbik (first)
Andrea Dal Corso (additional)

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Dates

Type	When
Created	21 years, 3 months ago (May 10, 2004, 6:54 p.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 3:06 p.m.)
Indexed	1 year, 2 months ago (June 21, 2024, 10:48 a.m.)
Issued	21 years, 2 months ago (June 1, 2004)
Published	21 years, 2 months ago (June 1, 2004)
Published Print	21 years, 2 months ago (June 1, 2004)

Funders 0

None

BibTeX

@article{T_bik_2004, title={Electric fields with ultrasoft pseudo-potentials: Applications to benzene and anthracene}, volume={120}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1729853}, DOI={10.1063/1.1729853}, number={21}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Tóbik, Jaroslav and Dal Corso, Andrea}, year={2004}, month=jun, pages={9934–9941} }

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