Multi-Coefficient Correlation Method for Quantum Chemistry

Patton L. Fast, José C. Corchado, María L. Sánchez, Donald G. Truhlar

Research output: Contribution to journalArticle

211 Scopus citations

Abstract

We present a new method for extrapolating correlated electronic structure calculations based on correlation-consistent polarized double-Ζ and triple-Ζ basis sets for calculation of molecular energies (atomization energies).

Original languageEnglish (US)
Pages (from-to)5129-5136
Number of pages8
JournalJournal of Physical Chemistry A
Volume103
Issue number26
DOIs
StatePublished - Jul 1 1999

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