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 Aprà	887c479985	Update hl_tol default value from 0.1 to 0.01	2026-07-09 12:17:21 -07:00
Edoardo Aprà	81ec7988ee	latex math	2025-08-23 18:31:37 -07:00
edoapra	3260a4c7da	fukui math	2025-08-22 17:35:10 -07:00
edoapra	86640b3f08	fukui math	2025-08-22 17:23:33 -07:00
edoapra	a7e0131620	fukui math	2025-08-22 17:00:41 -07:00
edoapra	e1e01d0b96	latex math	2025-08-22 16:51:43 -07:00
edoapra	907bedcb23	latex math	2025-08-22 16:38:30 -07:00
edoapra	7e6e2504db	latex math	2025-08-22 16:28:18 -07:00
edoapra	fcad6cd65b	latex math	2025-08-22 16:17:46 -07:00
Edoardo Aprà	cb13356b74	vdw formulas	2025-08-22 16:05:15 -07:00
edoapra	0e6208241f	libxc website update	2025-06-18 13:50:33 -07:00
edoapra	4e605113e9	fila	2025-05-30 17:03:24 -07:00
Edoardo Aprà	93370a8a1c	Update Density-Functional-Theory-for-Molecules.md	2024-04-23 12:12:42 -07:00
Edoardo Aprà	a1fa72dcee	Update Density-Functional-Theory-for-Molecules.md ... fast	2023-09-07 18:30:43 -07:00
Edoardo Aprà	22f1583c04	Update Density-Functional-Theory-for-Molecules.md ... removed obsolete mention of damping=70 for 2 cycles	2023-09-07 17:39:13 -07:00
Edoardo Aprà	841bb82037	xdm	2023-06-29 17:01:49 -07:00
Edoardo Aprà	683c55ba32	disp equation	2023-06-18 23:08:11 -07:00
edoapra	bc44ca02d6	added Dunlap ref	2023-06-13 11:28:51 -07:00
Edoardo Aprà	7126f8f40a	fix fukui	2023-03-15 18:11:23 -07:00
Edoardo Aprà	bafda61ed8	Fukui	2023-03-15 17:21:44 -07:00
edoapra	fbb384abbc	update	2023-02-24 09:20:47 -08:00
edoapra	bc2cde2851	fix	2023-02-23 17:17:11 -08:00
edoapra	7da9d4dc6f	update	2023-02-23 16:58:09 -08:00
edoapra	c47c9c31e4	bibtex	2023-02-23 16:06:13 -08:00
edoapra	3e0c072830	tables	2023-02-22 16:34:09 -08:00
edoapra	af5871e174	libxc	2023-02-20 14:25:24 -08:00
Daniel Mejia-Rodriguez	1f3b9df985	Update r*scan functionals	2023-02-20 11:16:30 -08:00
Edoardo Aprà	246105c66c	r2scan	2023-02-18 11:43:00 -08:00
Edoardo Aprà	77d1004474	wb	2023-02-18 11:28:51 -08:00
Edoardo Aprà	866396361c	rscans	2023-02-17 19:41:07 -08:00
Edoardo Aprà	4f17e5d7e7	fix	2023-02-17 19:27:20 -08:00
Edoardo Aprà	050208dbe8	wb97x	2023-02-17 19:14:13 -08:00
edoapra	ff974fd6d9	snow gone	2023-01-03 10:55:28 -08:00
edoapra	09d6e53d0f	formatting	2022-12-19 16:24:18 -08:00
edoapra	acd45444d0	dois	2022-12-19 16:04:02 -08:00
Edoardo Aprà	b55315f1d9	adft	2022-12-19 14:12:49 -08:00
edoapra	9e2a389376	debris	2022-12-19 13:58:16 -08:00
Daniel Mejia-Rodriguez	dacdbfad87	Merge branch 'master' of github.com:nwchemgit/nwchem-wiki into adft	2022-12-19 13:49:43 -08:00
Daniel Mejia-Rodriguez	98af02b3be	More details to adft	2022-12-19 13:47:07 -08:00
Edoardo Aprà	0bea2cdb31	Update Density-Functional-Theory-for-Molecules.md ... typo	2022-12-16 17:17:33 -08:00
edoapra	e709f22959	dois	2022-12-16 15:55:43 -08:00
edoapra	0d9716c7a5	refs	2022-12-16 15:27:21 -08:00
edoapra	2f58fb6098	refs	2022-12-16 15:08:45 -08:00
edoapra	280eb27d8b	refs	2022-12-16 15:04:57 -08:00
edoapra	823e4b4c98	refs	2022-12-16 14:57:39 -08:00
edoapra	ab8ed91649	refs	2022-12-16 14:55:42 -08:00
edoapra	6e1e8f726c	snow	2022-12-14 18:53:05 -08:00
Edoardo Aprà	b214d4c373	adft	2022-12-14 11:32:33 -08:00
Edoardo Aprà	89f3e4d1b5	adft	2022-12-14 11:03:21 -08:00
Edoardo Aprà	f39297fc1d	latex	2022-12-13 11:27:52 -08:00