163 Commits

Author	SHA1	Message	Date
pfloos	ad2a1faff9	add TOC	2022-06-12 15:37:38 +02:00
pfloos	f3d62139ca	revision manuscript	2022-06-12 10:45:56 +02:00
EnzoMonino	07effa68af	Q-Chem version	2022-06-10 17:11:23 +02:00
EnzoMonino	0cb2b746e2	Martial+Denis corrections	2022-06-10 16:58:13 +02:00
EnzoMonino	47f3836321	figures	2022-06-10 16:44:36 +02:00
Pierre-Francois Loos	9ec78543e8	MRCI+Q	2022-06-10 11:12:53 +02:00
EnzoMonino	f9e300c3eb	MRCI supporting	2022-06-10 10:13:42 +02:00
pfloos	997fd4e099	SF-EOM-CCSD	2022-06-09 23:01:30 +02:00
EnzoMonino	9b8d68bf28	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-06-09 22:45:58 +02:00
EnzoMonino	588402e923	figures	2022-06-09 22:45:47 +02:00
pfloos	b2d32c44d4	EOM-SF -> SF-EOM	2022-06-09 22:17:44 +02:00
Pierre-Francois Loos	288925728c	minor corrections	2022-06-09 16:28:16 +02:00
pfloos	7a8d5bd874	saving work in revision	2022-06-08 18:49:43 +02:00
EnzoMonino	56175f29f1	figures	2022-06-08 16:28:21 +02:00
EnzoMonino	38b6383c2b	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-06-08 14:18:02 +02:00
EnzoMonino	c518fc6356	update	2022-06-08 14:17:56 +02:00
pfloos	6cf77869b8	revisions	2022-06-08 14:17:01 +02:00
EnzoMonino	e2a7ff2507	EOM-SF-CCSD discussion	2022-06-08 11:47:47 +02:00
EnzoMonino	74e5b20711	update	2022-06-08 10:00:08 +02:00
EnzoMonino	d8c2cdaa9c	Manuscript updates	2022-06-07 17:01:21 +02:00
EnzoMonino	92657ec59a	LeFrancois EOM-SF-CC values	2022-06-07 16:08:26 +02:00
EnzoMonino	54ee234a6a	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-06-07 15:48:41 +02:00
EnzoMonino	3b9e71e322	update	2022-06-07 15:48:36 +02:00
Pierre-Francois Loos	47e0f61b5a	Ag	2022-06-07 15:44:11 +02:00
EnzoMonino	4c410060d5	Response+some data	2022-06-07 13:33:31 +02:00
EnzoMonino	87ea0fede9	update	2022-06-04 17:04:42 +02:00
pfloos	2ed3ea43c2	fix SI problems	2022-05-25 14:33:13 +02:00
pfloos	93fbc5e32e	formatting sections	2022-05-25 14:23:44 +02:00
EnzoMonino	a2baf2fcb2	add EOM-DEA-CCSD results	2022-05-25 09:43:21 +02:00
EnzoMonino	d36fc00154	Manuscript corrections	2022-05-25 09:12:11 +02:00
EnzoMonino	a171b36724	some edition corrections	2022-05-20 12:53:20 +02:00
EnzoMonino	deaa7af595	some SF-EOM-CCSD results	2022-05-20 10:53:41 +02:00
Pierre-Francois Loos	3b2226ed13	EOMCC	2022-05-12 15:40:33 +02:00
EnzoMonino	47c3aee992	biblio	2022-05-11 16:28:21 +02:00
EnzoMonino	ef67864a65	Piotr's references	2022-05-11 14:18:20 +02:00
Pierre-Francois Loos	c18f24f70d	CC4 -> CCSDTQ	2022-05-09 15:10:05 +02:00
EnzoMonino	a4d5e8a99f	correction	2022-05-09 14:24:05 +02:00
EnzoMonino	b1ef3b205e	fig3	2022-05-09 13:50:16 +02:00
EnzoMonino	d72522232f	new TBE triplet D2h	2022-05-09 13:40:28 +02:00
EnzoMonino	eec53a94a5	fig3+TBE table	2022-05-09 08:34:23 +02:00
pfloos	98006ca94c	update CC4 value for D2h triplet	2022-05-08 15:32:42 +02:00
Pierre-Francois Loos	e11e7d148f	fig1	2022-04-12 09:08:41 +02:00
Pierre-Francois Loos	c461645933	submitted to JPCA	2022-04-11 16:46:07 +02:00
Pierre-Francois Loos	5b2d2f9799	cover letter	2022-04-11 16:00:37 +02:00
Pierre-Francois Loos	9e7d67903a	rename for submission	2022-04-11 16:00:06 +02:00
Pierre-Francois Loos	47ae507ecd	SI	2022-04-11 15:52:14 +02:00
Pierre-Francois Loos	4f70931fb5	OK with manuscript	2022-04-11 15:48:24 +02:00
Pierre-Francois Loos	4dade17fc7	ionic	2022-04-11 14:47:17 +02:00
EnzoMonino	efa71e0c35	AB figure	2022-04-11 13:40:30 +02:00
Pierre-Francois Loos	7258819f6f	corrections martial	2022-04-11 13:33:38 +02:00