Multi-Coefficient Correlation Method for Quantum Chemistry

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

doi:10.1021/jp9903460

Multi-Coefficient Correlation Method for Quantum Chemistry

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

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

215 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 language	English (US)
Pages (from-to)	5129-5136
Number of pages	8
Journal	Journal of Physical Chemistry A
Volume	103
Issue number	26
DOIs	https://doi.org/10.1021/jp9903460
State	Published - Jul 1 1999

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title = "Multi-Coefficient Correlation Method for Quantum Chemistry",

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).",

author = "Fast, {Patton L.} and Corchado, {Jos{\'e} C.} and S{\'a}nchez, {Mar{\'i}a L.} and Truhlar, {Donald G.}",

year = "1999",

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T1 - Multi-Coefficient Correlation Method for Quantum Chemistry

AU - Fast, Patton L.

AU - Corchado, José C.

AU - Sánchez, María L.

AU - Truhlar, Donald G.

PY - 1999/7/1

Y1 - 1999/7/1

N2 - 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).

AB - 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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U2 - 10.1021/jp9903460

DO - 10.1021/jp9903460

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SP - 5129

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JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 26

ER -

Multi-Coefficient Correlation Method for Quantum Chemistry

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