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]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},
}

Downloads: 0