Density Functional Theory for Molecules

Edoardo Aprà edited this page 2026-07-09 12:17:21 -07:00

Page revisions

145 Commits

Author	SHA1	Message	Date
Edoardo Apra	36e4bd1b59	cleanup	2020-06-03 23:47:05 -07:00
edoapra	8ce22e2b37	removed nwxc mention	2020-03-31 11:40:39 -07:00
Edoardo Aprà	7601b67e3e	title for XC table	2020-02-10 10:12:41 -08:00
Eisuke Kawashima	e10af3c6ce	Fix markdown and typo	2020-02-07 17:07:41 +09:00
Edoardo Aprà	a865d70b31	html code for grid accuracy table	2020-02-06 10:51:53 -08:00
Edoardo Aprà	90053a5fb9	added huge grid	2020-02-06 10:47:07 -08:00
Eisuke Kawashima	b8a84d0c8f	Fix "Density Functional Theory" ... * Fix markdown * Add missing angular grid fineness	2020-02-06 20:03:21 +09:00
Edoardo Aprà	99e25c602e	fix links	2019-12-04 11:11:40 -08:00
Edoardo Aprà	0a30e89431	fix links	2019-12-04 09:53:28 -08:00
Edoardo Aprà	f4ff3364af	fix links	2019-12-04 09:52:14 -08:00
mperez	0cc71cd200	rename title for improved search results ... improve search results for "DFT" under the pages search feature	2019-08-22 23:12:04 -06:00
Edoardo Aprà	ef1fefa840	fix links	2019-07-10 18:37:34 -07:00
Edoardo Aprà	8b42d5daaa	brackets	2019-02-14 16:09:34 -08:00
Edoardo Aprà	7df27e7f6c	fixed D3 expression	2019-02-14 15:44:48 -08:00
edoapra	5a55645f1c	fix links	2019-01-31 17:56:23 -08:00
edoapra	4c8bf595ef	fix links	2019-01-31 17:53:28 -08:00
edoapra	fb34a3bb1b	fix links	2019-01-31 17:49:29 -08:00
edoapra	9f4a429ee7	keywords as code	2019-01-31 17:46:39 -08:00
Edoardo Aprà	b0356de3ad	equations in html syntax	2019-01-31 17:32:42 -08:00
Edoardo Aprà	1e61b37699	right arrow	2019-01-31 17:06:31 -08:00
edoapra	3b192ef346	formatting	2019-01-31 17:01:08 -08:00
Edoardo Aprà	5feb26b0a9	fix links	2019-01-30 10:59:31 -08:00
Edoardo Aprà	e863d5294b	fix links	2019-01-30 10:58:18 -08:00
Edoardo Aprà	2716c8f7d2	formatting	2019-01-30 10:57:26 -08:00
Edoardo Aprà	2b689ad130	formatting	2019-01-30 10:56:51 -08:00
Edoardo Aprà	79a11b772e	formatting	2019-01-30 10:51:15 -08:00
Edoardo Aprà	36610b1bbf	formatting	2019-01-30 10:49:57 -08:00
Edoardo Aprà	df727ba4f5	refs	2018-11-26 18:59:20 -08:00
Edoardo Aprà	9cd90d93d1	SCAN and revM06	2018-08-24 17:43:19 -07:00
Edoardo Aprà	e0f0fb69a5	Updated Density Functional Theory for Molecules (markdown)	2018-08-23 23:35:19 -07:00
Edoardo Aprà	397101345a	Updated Density Functional Theory for Molecules (markdown)	2018-07-18 19:58:23 -07:00
Edoardo Aprà	a9a40342c3	Updated Density Functional Theory for Molecules (markdown)	2018-07-18 19:56:18 -07:00
Edoardo Aprà	882e346706	formatting	2018-07-18 19:48:06 -07:00
Edoardo Aprà	27769a9b66	formatting	2018-07-11 18:43:06 -07:00
ngovind	043ac68251	Add Vydrov & Scuseria reference. Change LC-wPBEH to LRC-wPBEh and erf parameter to be precise with Herbert's paper	2018-03-22 15:49:31 -07:00
Edoardo Aprà	0b1e129e97	Updated Density Functional Theory for Molecules (markdown)	2018-02-28 17:52:48 -08:00
Edoardo Aprà	9c48d04b0e	added HLE16	2017-12-11 17:10:16 -08:00
ngovind	5ceb6d80fe	Updated Density Functional Theory for Molecules (markdown)	2017-12-11 16:44:39 -08:00
ngovind	50e3c5dca0	Updated Density Functional Theory for Molecules (markdown)	2017-12-11 16:43:36 -08:00
ngovind	2b9c0e93cc	Updated Density Functional Theory for Molecules (markdown)	2017-12-11 16:40:39 -08:00
Edoardo Aprà	546dbacd60	vdw4	2017-12-04 12:45:04 -08:00
Edoardo Aprà	6b2a00399c	vdw formulas	2017-12-04 11:28:06 -08:00
Edoardo Aprà	2dd90da585	Updated Density Functional Theory for Molecules (markdown)	2017-11-27 10:58:45 -08:00
edoapra	9ba4526cc1	quotes	2017-11-27 10:48:08 -08:00
NWChem: Open Source High-Performance Computational Chemistry	0c80b2c922	Updated Density_Functional_Theory_for_Molecules (markdown)	2017-11-21 12:04:18 -08:00