Fitting atomic correlation parameters for RECEP (rapid estimation of correlation energy from partial charges) method to estimate molecular correlation energies within chemical accuracy.

Details

Language :

English

ISSN :

01928651

Volume :

22

Issue :

2

Database :

Complementary Index

Journal :

Journal of Computational Chemistry

Publication Type :

Academic Journal

Accession number :

63806342

Full Text :

https://doi.org/10.1002/1096-987X(20010130)22:2<241::AID-JCC11>3.0.CO;2-C