Adiabatic Corrections to Density Functional Theory Energies and Wave Functions-Reference-Cited by-同舟云学术

Adiabatic Corrections to Density Functional Theory Energies and Wave Functions

Published:2008-06-07 Issue:38 Volume:112 Page:8896-8901
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Mohallem José R.¹,de O. Coura Thiago¹,Diniz Leonardo G.¹,de Castro Gustavo¹,Assafrão Denise¹,Heine Thomas¹

Affiliation:

1. Laboratório de Átomos e Moléculas Especiais, Departamento de Física, ICEx, Universidade Federal de Minas Gerais, CP 702, 30123-970, Belo Horizonte, MG, Brasil, and Technische Universität Dresden, Fachbereich Chemie, D-01062 Dresden, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp800732a

Reference33 articles.

1. Generalized Gradient Approximation Made Simple

2. The meta-GGA functional: Thermochemistry with a kinetic energy density dependent exchange-correlation functional

3. Density Functional Theory

4. A Chemist's Guide to Density Functional Theory

5. HEAT: High accuracy extrapolatedab initiothermochemistry

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