Efficient Method for Calculating Effective Core Potential Integrals
Author:
Affiliation:
1. Research School of Chemistry, Australian National University, Canberra, Australian Capital Territory 2601, Australia
2. Q-Chem Inc., 6601 Owens Drive, Pleasanton, California 94588, United States
Funder
Australian Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.7b12679
Reference46 articles.
1. Effective Core Potential Approaches to the Chemistry of the Heavier Elements
2. Non-empirical pseudopotentials for molecular calculations
3. Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
4. Calculation of integrals over ab initio pseudopotentials
5. Pseudopotential matrix elements in the Gaussian basis
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