Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization.

Krzysztof Wolinski Robert Haacke James F. Hinton Peter Pulay Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization. 816-825 1997 18 Journal of Computational Chemistry 6 http://dx.doi.org/10.1002/(SICI)1096-987X(19970430)18:6<816::AID-JCC7>3.0.CO;2-V db/journals/jcc/jcc18.html#WolinskiHHP97