An ab initio program for the treatment of related systems transferability of correlation energy terms of weakly interacting molecules

C. Kozmutza, E. Tfirst

Research output: Contribution to journalArticle

Abstract

This paper is part of a series of works describing an ab initio program that was developed for the study of related systems. Here, the transferability of various correlation energy contributions is discussed. The separate study of these terms allows us to investigate H-bonded systems in a straightforward manner.

Original languageEnglish
Pages (from-to)67-69
Number of pages3
JournalJournal of Molecular Structure: THEOCHEM
Volume671
Issue number1-3
DOIs
Publication statusPublished - Feb 23 2004

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Molecules
molecules
energy

Keywords

  • Interacting molecules
  • Magnitude
  • Technologically driven

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Computational Theory and Mathematics
  • Atomic and Molecular Physics, and Optics

Cite this

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