RT TDDFT

edoapra edited this page 2022-07-18 09:33:04 -07:00

Page revisions

38 Commits

Author	SHA1	Message	Date
edoapra	92f4aa73f6	rt updates	2022-07-18 09:33:04 -07:00
Edoardo Aprà	d9df40224f	Update RT-TDDFT.md	2022-05-05 18:58:03 -07:00
Edoardo Aprà	7435d43dee	CAP	2022-05-05 18:32:14 -07:00
Edoardo Aprà	f787b410fe	CAP figure	2022-05-05 18:22:46 -07:00
Edoardo Aprà	4f1bf1d3e7	Update RT-TDDFT.md	2022-05-05 18:21:33 -07:00
Edoardo Aprà	af42c970b2	cap on/off	2022-05-05 17:51:47 -07:00
edoapra	28b4f091f6	added draft for MOCAP	2022-03-17 17:38:26 -07:00
edoapra	b2a0f84e9d	formatting	2022-03-09 09:56:00 -08:00
edoapra	91b97e2157	formatting	2022-03-08 19:27:16 -08:00
Edoardo Aprà	66ac7c4054	links	2022-02-23 14:39:14 -08:00
Edoardo Aprà	ce30c709b7	no need to define _dir	2022-02-23 10:16:39 -08:00
Edoardo Aprà	33555737e7	fix links ... Former-commit-id: 6136c29b2b1e307c1bf8181d294bb185afc0c5e2	2022-01-11 17:48:03 -08:00
edoapra	c8ee221492	ref fixed and formatting ... Former-commit-id: ed2836f722986dfec075a66fb089f4ab19f96626	2022-01-11 15:55:09 -08:00
Edoardo Aprà	ca558a62b6	formatting ... Former-commit-id: 213e8e370b2a97aedf7498451dcf4b0382a1994f	2022-01-11 13:03:37 -08:00
Edoardo Aprà	e844e9498c	formatting ... Former-commit-id: f5e41d91fce71dbca686714cf1d22a2046f5b89f	2022-01-11 12:36:16 -08:00
Edoardo Aprà	fe8c2c6b95	formatting ... Former-commit-id: 27aab913a9a598ad8a6bbf093052a0825ae3014b	2022-01-11 11:49:00 -08:00
klambro	eec3d8beb8	Update RT-TDDFT.md ... I added some details to the formula that produces a Gaussian enveloped quasi-monochromatic pulse so that it is exact. Also, the parameter phase was missing. It's inclusion makes it straightforward to move from a delta-type kick field to a narrow Gaussian electric field, in order to avoid introducing nonphysical artifacts or instabilities in calculations of absorption spectra, as it is discussed in K. Lopata and N. Govind, J. Chem. Theory Comput. 2011, 7, 5, 1344–1355. Former-commit-id: 7841a3d8321a1ef8e6bed4b778aa3eb162924fc4	2022-01-11 18:08:04 +02:00
Edoardo Apra	36e4bd1b59	cleanup	2020-06-03 23:47:05 -07:00
Eisuke Kawashima	e10af3c6ce	Fix markdown and typo	2020-02-07 17:07:41 +09:00
Niri Govind	9aea33bb14	added load restart usage	2018-09-13 17:02:34 -07:00
Niri Govind	9150a14d3a	added load restart option to RT block documentation	2018-09-13 16:46:34 -07:00
Edoardo Aprà	54b4b5c1aa	formatting	2018-08-09 09:46:33 -07:00
Edoardo Aprà	6744622b42	table	2018-08-07 09:49:45 -07:00
Edoardo Aprà	75852fae6f	formatting	2018-08-07 09:43:05 -07:00
Edoardo Aprà	ba955d3ed2	formatting	2018-08-07 09:42:37 -07:00
Edoardo Aprà	73359183c0	links	2018-02-13 17:59:01 -08:00
Edoardo Aprà	03244dd12d	links	2018-02-13 17:54:34 -08:00
Edoardo Aprà	b722fbbb2f	links	2018-02-13 17:53:50 -08:00
Edoardo Aprà	f47ad8fe3c	deleted Release66:	2017-12-09 20:35:23 -08:00
Edoardo Aprà	4618d7a6de	links	2017-12-09 17:49:24 -08:00
Edoardo Aprà	d463348bda	pic	2017-12-09 17:44:31 -08:00
Edoardo Aprà	c098c052b9	pic	2017-12-09 17:42:07 -08:00
Edoardo Aprà	c1c329af7d	pic	2017-12-09 17:41:04 -08:00
Edoardo Aprà	bdf7f791b8	pic	2017-12-09 17:39:33 -08:00
Edoardo Aprà	6ee079e7cd	pics	2017-12-09 17:34:24 -08:00
Edoardo Aprà	316a97c58d	pics	2017-12-09 17:32:59 -08:00
edoapra	ba84235997	RT	2017-11-20 22:56:15 -08:00
NWChem: Open Source High-Performance Computational Chemistry	42aadf9e95	Created RT TDDFT (markdown)	2017-11-20 22:54:53 -08:00