An efficient procedure for calculating the molecular gradient, using SCF-CI semiempirical wavefunctions with a limited number of configurations. Dewar, M. J. & Liotard, D. A. Journal of Molecular Structure: THEOCHEM, 206(1-2):123–133, March, 1990. ![An efficient procedure for calculating the molecular gradient, using SCF-CI semiempirical wavefunctions with a limited number of configurations [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi bibtex @article{dewar_efficient_1990,
title = {An efficient procedure for calculating the molecular gradient, using {SCF}-{CI} semiempirical wavefunctions with a limited number of configurations},
volume = {206},
issn = {01661280},
url = {https://linkinghub.elsevier.com/retrieve/pii/016612809085012C},
doi = {10.1016/0166-1280(90)85012-C},
language = {en},
number = {1-2},
urldate = {2021-02-23},
journal = {Journal of Molecular Structure: THEOCHEM},
author = {Dewar, Michael J.S. and Liotard, Daniel A.},
month = mar,
year = {1990},
pages = {123--133},
}
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