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Keld L. Bak

A NUMERICALLY STABLE ORBITAL CONNECTION FOR THE CALCULATION OF ANALYTICAL HESSIANS USING PERTURBATION-DEPENDENT BASIS-SETS

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

It is demonstrated that calculations of second-order molecular properties using perturbation-dependent basis sets are most efficiently carried out using the natural connection.

Original languageEnglish
JournalChemical Physics Letters
Volume235
Issue1-2
Pages (from-to)47-52
Number of pages6
ISSN0009-2614
Publication statusPublished - 17 Mar 1995

    Research areas

  • CORRELATED MOLECULAR CALCULATIONS, GAUSSIAN-BASIS SETS, WAVE-FUNCTIONS

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