Explicitly correlated electronic structure theory from R12/F12 ansätze-Reference-Cited by-同舟云学术

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Explicitly correlated electronic structure theory from R12/F12 ansätze

Published:2011-05-26 Issue:1 Volume:2 Page:114-125
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Ten‐no Seiichiro¹²,Noga Jozef³⁴

Affiliation:

1. Graduate School of System Informatics, Kobe University, Nada‐ku, Kobe, Japan

2. CREST, Japan Science and Technology Agency (JST), Saitama, Japan

3. Department of Inorganic Chemistry, Faculty of Natural Sciences, Comenius University, Bratislava, Slovakia

4. Institute of Inorganic Chemistry, Slovak Academy of Sciences, Bratislava, Slovakia

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.68

Reference64 articles.

1. Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-Helium

2. On the eigenfunctions of many-particle systems in quantum mechanics

3. Cusp Conditions for Molecular Wavefunctions

4. r 12-Dependent terms in the wave function as closed sums of partial wave amplitudes for large l

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4. Efficient Exploitation of Numerical Quadrature with Distance-Dependent Integral Screening in Explicitly Correlated F12 Theory: Linear Scaling Evaluation of the Most Expensive RI-MP2-F12 Term;Journal of Chemical Theory and Computation;2024-04-16

5. Diffuse basis functions for explicitly correlated calculations on the heavy p-block: aug-cc-pVnZ-PP-F12 sets for Ga–Kr, In–Xe, and Tl–Rn;The Journal of Chemical Physics;2024-03-15

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