Estimation, Computation, and Experimental Correction of Molecular Zero-Point Vibrational Energies-Reference-Cited by-同舟云学术

Estimation, Computation, and Experimental Correction of Molecular Zero-Point Vibrational Energies

Published:2005-07-13 Issue:30 Volume:109 Page:6779-6789
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Csonka Gábor I.¹,Ruzsinszky Adrienn¹,Perdew John P.¹

Affiliation:

1. Department of Inorganic Chemistry, Budapest University of Technology and Economics, H-1521 Budapest, Hungary, and Department of Physics and Quantum Theory Group, Tulane University, New Orleans, Louisiana 70118

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0519464

Reference32 articles.

1. Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory

2. HEAT: High accuracy extrapolatedab initiothermochemistry

3. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

4. Density‐functional thermochemistry. III. The role of exact exchange

5. Concerning zero‐point vibrational energy corrections to electronic energies

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