Multi-Coefficient Correlation Method for Quantum Chemistry

Patton L. Fast; J. C. Corchado; M. Luz Sánchez; Donald G Truhlar

doi:10.1021/jp9903460

Abstract

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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).

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