Literature DB >> 26528607

Real-space numerical grid methods in quantum chemistry.

Luca Frediani1, Dage Sundholm.   

Abstract

Year:  2015        PMID： 26528607     DOI： 10.1039/c5cp90198g

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN： 1463-9076            Impact factor:   3.676


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  1 in total

1.  Probing vibrational coupling via a grid-based quantum approach-an efficient strategy for accurate calculations of localized normal modes in solid-state systems.

Authors:  Ulrich Kuenzer; Martin Klotz; Thomas S Hofer
Journal:  J Comput Chem       Date:  2018-10-20       Impact factor: 3.376
  1 in total

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