Informatics‐Based Energy Fitting Scheme for Correlation Energy at Complete Basis Set Limit-Reference-Cited by-同舟云学术

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Informatics‐Based Energy Fitting Scheme for Correlation Energy at Complete Basis Set Limit

Published:2016-07-25 Issue:25 Volume:37 Page:2304-2315
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Seino Junji¹,Nakai Hiromi¹²³⁴

Affiliation:

1. Research Institute for Science and Engineering, Waseda University3‐4‐1 OkuboShinjuku‐Ku Tokyo169‐8555 Japan

2. Department of Chemistry and Biochemistry, School of Advanced Science and EngineeringWaseda University3‐4‐1 OkuboShinjuku‐Ku Tokyo169‐8555 Japan

3. CREST, Japan Science and Technology Agency7 GobanchoChiyoda‐Ku Tokyo102‐0076 Japan

4. Kyotodaigaku‐KatsuraESICB, Kyoto UniversityNishigyoku Kyoto615‐8520 Japan

Funder

Core Research for Evolutional Science and Technology

Japan Science and Technology Agency

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.24455

Reference69 articles.

1. Towards a full CCSDT model for electron correlation

2. A fifth-order perturbation comparison of electron correlation theories

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

4. Møller-plesset calculations taking care of the correlation CUSP

5. Wave functions with terms linear in the interelectronic coordinates to take care of the correlation cusp. I. General theory

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1. Building a New Platform for Significantly Improving Performance of Hartree–Fock and CCSD(T) Correlation Energy Based on Two-Point Complete Basis Set Extrapolation Schemes;The Journal of Physical Chemistry A;2024-04-30

2. Post-complete-basis-set extrapolation of conventional and explicitly correlated coupled-cluster energies: can the convergence to the CBS limit be diagnosed?;Physical Chemistry Chemical Physics;2021

3. Machine-learned electron correlation model based on frozen core approximation;The Journal of Chemical Physics;2020-11-14

4. Machine-learned electron correlation model based on correlation energy density at complete basis set limit;The Journal of Chemical Physics;2019-07-14

5. Straightening the Hierarchical Staircase for Basis Set Extrapolations: A Low-Cost Approach to High-Accuracy Computational Chemistry;Annual Review of Physical Chemistry;2018-04-20

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