Resonating valence bond quantum Monte Carlo: Application to the ozone molecule-Reference-Cited by-同舟云学术

Resonating valence bond quantum Monte Carlo: Application to the ozone molecule

Published:2015-09-15 Issue:23 Volume:115 Page:1673-1677
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Azadi Sam¹,Singh Ranber²³,Kühne Thoms D.⁴⁵

Affiliation:

1. Department of Physics; Imperial College London; Exhibition Road London SW7 2AZ United Kingdom

2. Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz; Staudinger Weg 7 Mainz D-55128 Germany

3. Department of Physics; DAV University Jalandhar; Warburger Str. 100 Punjab India

4. Dynamics of Condensed Matter, Department of Chemistry; University of Paderborn; Warburger Str. 100 Padeborn D-33102 Germany

5. Paderborn Center for Parallel Computing and Institute for Lightweight Design with Hybrid Systems, University of Paderborn; Warburger Str. 100 Padeborn D-33102 Germany

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference75 articles.

1. Insights into Current Limitations of Density Functional Theory

2. On the accuracy of the fixed-node diffusion quantum Monte Carlo method

3. A diffusion quantum Monte Carlo study of geometries and harmonic frequencies of molecules

4. Diffusion quantum Monte Carlo for equilibrium structures and harmonic frequencies of ethane and ozone molecules

5. Theoretical investigation of the cyclic conformer of ozone

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