Reduced-Scaling Correlation Methods for the Excited States of Large Molecules: Implementation and Benchmarks for the Second-Order Algebraic-Diagrammatic Construction Approach-Reference-Cited by-同舟云学术

Reduced-Scaling Correlation Methods for the Excited States of Large Molecules: Implementation and Benchmarks for the Second-Order Algebraic-Diagrammatic Construction Approach

Published:2019-09-25 Issue:11 Volume:15 Page:6111-6126
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mester Dávid¹^ORCID,Nagy Péter R.¹^ORCID,Kállay Mihály¹^ORCID

Affiliation:

1. Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, H-1521 Budapest, P.O. Box 91, Hungary

Funder

Nemzeti Kutat?si Fejleszt?si ?s Innov?ci?s Hivatal

Emberi Eroforr?sok Miniszt?riuma

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00735

Reference117 articles.

1. Progress in Time-Dependent Density-Functional Theory

2. An intermediate neglect of differential overlap technique for spectroscopy: Pyrrole and the azines

3. An intermediate neglect of differential overlap technique for spectroscopy of transition-metal complexes. Ferrocene

4. Orthogonalization corrections for semiempirical methods

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