Density functional theory

Density functional theory: advances in applications

by Ramasami, Ponnadurai

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Title Statements

  • Full title :Density functional theory : advances in applications / edited by Ponnadurai Ramasami.

Edition Statements

  • Publication Date:2019

Publication Statements

  • Publisher(s):De Gruyter
  • Place of Publication:Berlin
  • Language:eng
  • Publication Date:2019

The Physical Object

  • Description:1 online resource

Edition Identifiers

  • ISBN:9783110566758, 3110566753, 3110566958, 9783110566956
  • oclc:on1135650069
  • LC Classification:QC20.7.D43
  • Dewey Decimal:523.112

Table of Contents

Optical properties of monolayer BeC under an external electric field : a DFT approach / Suman Chowdhury and Debnarayan Jana -- A DFT studies on storage and adsorption capacities of gases of MOFs / Archa Gulati and Rita Kakkar -- DFT computations on vibrational spectra : scaling procedures to improve the wavenumbers / M. Alcolea Palafox.

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Subjects

Density functionals Fonctionnelles densité Mathematical physics Physique mathématique

Writers

Ramasami, Ponnadurai

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