Student-Friendly Guide to Molecular Integrals-Reference-Cited by-同舟云学术

Student-Friendly Guide to Molecular Integrals

Published:2018-07-19 Issue:9 Volume:95 Page:1572-1578
ISSN:0021-9584
Container-title:Journal of Chemical Education
language:en
Short-container-title:J. Chem. Educ.

Author:

Murphy Kevin V.¹²,Turney Justin M.²^ORCID,Schaefer Henry F.²^ORCID

Affiliation:

1. Department of Science, Valley City State University, Valley City, North Dakota 58072, United States and

2. Center for Computational Quantum Chemistry, University of Georgia, Athens, Georgia 30602, United States

Funder

Division of Chemistry

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Education,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jchemed.8b00255

Reference36 articles.

1. Szabo, A.; Ostlund, N. Integral Evaluation with 1s Primitive Gaussians. Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory; McGraw-Hill: New York, 1989; pp 410–416.

2. Exploring Do-It-Yourself Approaches in Computational Quantum Chemistry: The Pedagogical Benefits of the Classical Boys Algorithm

3. Goings, J. J. A (Hopefully) Gentle Guide to the Computer Implementation of Molecular Integrals Over Gaussian Basis Functions. http://joshuagoings.com/2017/04/28/integrals/ (accessed June 4, 2018).

4. Gaussian-Expansion Methods for Molecular Integrals

Cited by 4 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Integrating Computational Chemistry into Secondary School Lessons;Journal of Chemical Education;2024-05-21

2. Density Functional Calculations on H₂ Using 1s Slater Type Orbitals;Journal of Chemical Education;2023-12-05

3. Opening the Density Functional Theory Black Box: A Collection of Pedagogic Jupyter Notebooks;Journal of Chemical Education;2023-10-16

4. Visualizing Solutions of the One-Dimensional Schrödinger Equation Using a Finite Difference Method;Journal of Chemical Education;2022-07-29