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Displaying 12 results for: Alexx Topics

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Thread Title	Replies	Views	Last Action	Forum
failed convergance for a single atom Started By : Alexx	1	613	Apr 8th 5:27 pm Huub	General Topics
run spherical atom with evenly distributed valence electron Started By : Alexx	1	905	Mar 14th 2:07 pm Edoapra	General Topics
unit of energy used in NWChem Started By : Alexx	1	433	Feb 18th 10:56 am Edoapra	General Topics
Charge on each entity Started By : Alexx	1	632	Oct 7th 2:23 pm Niri	General Topics
Run job with ANO-RCC basis set Started By : Alexx	1	970	Sep 16th 9:34 am Edoapra	General Topics
Gaussian basis functions used in NWChem Started By : Alexx	1	865	Aug 26th 10:01 am Huub	General Topics
About SARC-ZORA basis set Started By : Alexx	0	683	Aug 20th 10:20 am Alexx	General Topics
Verify the expression: C.transpose * S * C = I Started By : Alexx	6	1228	Aug 12th 1:40 pm Alexx	NWChem functionality
incomplete atomic overlap matrix output from "print "overlap" " Started By : Alexx	0	727	Aug 8th 5:49 pm Alexx	NWChem functionality
Cartesian gaussian functions used in NWChem Started By : Alexx	1	823	Jul 25th 9:55 am Edoapra	NWChem functionality
Roothaan equation (FC = SC*E) Started By : Alexx	1	1851	Jul 22nd 11:01 am Edoapra	NWChem functionality
overlap matrix of atomic orbitals Started By : Alexx	7	1776	Jul 12th 2:34 pm Alexx	NWChem functionality

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