163 Commits

Author	SHA1	Message	Date
Pierre-Francois Loos	45e72c53f7	Toto typos	2022-04-11 10:07:03 +02:00
Pierre-Francois Loos	b2f4430d58	modifying discussion	2022-04-10 22:34:29 +02:00
EnzoMonino	b96aeaa01c	updates CC4 and TBEs	2022-04-08 12:27:27 +02:00
Pierre-Francois Loos	d5b7c7e79e	revise D4h TBE	2022-04-08 11:39:00 +02:00
Pierre-Francois Loos	01c53281c7	revise TBE for D4h	2022-04-08 11:22:22 +02:00
Pierre-Francois Loos	1f8ce097d4	Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/CBD	2022-04-08 10:34:46 +02:00
Pierre-Francois Loos	c6c0cbcbbe	revising D2h TBE	2022-04-08 10:34:38 +02:00
EnzoMonino	4f8b83f057	CCSD values in TBEs table	2022-04-08 10:07:41 +02:00
EnzoMonino	8f4e5df58d	figure D2h with CCSD	2022-04-08 09:52:23 +02:00
Pierre-Francois Loos	9d94daaf04	CCSD D2h	2022-04-08 09:28:11 +02:00
Pierre-Francois Loos	b87280dada	OK for Denis comments	2022-04-07 22:37:25 +02:00
Pierre-Francois Loos	13c66deeca	Denis corrections	2022-04-07 21:34:35 +02:00
Pierre-Francois Loos	5288669637	donw for titou for now	2022-04-06 18:23:13 +02:00
Pierre-Francois Loos	68e1741294	saving work in final reading	2022-04-06 17:29:03 +02:00
Pierre-Francois Loos	1ae8c528ff	rough first draft done	2022-04-06 14:26:14 +02:00
Pierre-Francois Loos	6b49657428	almost done with D4h	2022-04-06 12:21:30 +02:00
EnzoMonino	eb5d69eb59	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-04-06 11:11:02 +02:00
EnzoMonino	4491dafb82	new figure2	2022-04-06 11:10:57 +02:00
Pierre-Francois Loos	6e8222d205	D4h SF-TDDFt	2022-04-06 11:08:41 +02:00
Pierre-Francois Loos	70478ff3a1	saving work in D4h	2022-04-05 22:22:40 +02:00
Pierre-Francois Loos	660adf0873	moving stuff in supporting information	2022-04-05 21:50:31 +02:00
EnzoMonino	5b83268c83	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-04-05 16:28:24 +02:00
EnzoMonino	88c8a727bc	Piotr reference values	2022-04-05 16:28:18 +02:00
Pierre-Francois Loos	82b80aec29	first cleanup of D2h done	2022-04-05 16:20:43 +02:00
Pierre-Francois Loos	cf15d753d0	fix bib	2022-04-05 15:33:24 +02:00
Pierre-Francois Loos	25f571e1f4	resolving issue	2022-04-05 14:13:03 +02:00
Pierre-Francois Loos	af58b4346d	saving work in D2h	2022-04-05 14:10:46 +02:00
Pierre-Francois Loos	77fa7f4076	saving work in D2h	2022-04-04 22:17:48 +02:00
EnzoMonino	90770ba4b5	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-04-04 16:55:08 +02:00
EnzoMonino	544d2845a7	updated figures+Ssquare	2022-04-04 16:54:09 +02:00
Pierre-Francois Loos	0875e53654	swap lines	2022-04-04 15:07:43 +02:00
EnzoMonino	a6d41f6490	SC-NEVPT2(12,12) figure 2	2022-04-04 10:01:47 +02:00
Pierre-Francois Loos	691ed04ccf	SC and PC	2022-04-04 09:56:20 +02:00
EnzoMonino	6c31035f65	updated TBEs	2022-04-04 08:50:52 +02:00
EnzoMonino	a2f79e6e52	figures without MRCI	2022-04-04 08:42:24 +02:00
EnzoMonino	065a509078	figure 2	2022-04-04 08:39:34 +02:00
Pierre-Francois Loos	e34ac4f329	saving work in D2h	2022-04-02 21:30:39 +02:00
Pierre-Francois Loos	89a015658f	new CAS results for (4,4)	2022-04-02 18:19:41 +02:00
Pierre-Francois Loos	3e4e572018	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-04-01 10:32:23 +02:00
Pierre-Francois Loos	565a3840fc	almost done with AB	2022-04-01 10:32:14 +02:00
EnzoMonino	24d2e83d51	Supporting	2022-04-01 10:23:41 +02:00
Pierre-Francois Loos	38a17f88b7	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-04-01 10:01:34 +02:00
Pierre-Francois Loos	5b34269c5e	saving work in AB	2022-04-01 10:01:31 +02:00
EnzoMonino	fd340674e3	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-04-01 09:30:05 +02:00
EnzoMonino	6107d8e7f2	corrections Enzo	2022-04-01 09:29:50 +02:00
Pierre-Francois Loos	f65f8ef09d	saving work in AB	2022-04-01 09:21:18 +02:00
Pierre-Francois Loos	c1af148d02	ok up to geom	2022-03-31 10:52:56 +02:00
EnzoMonino	9781e3e48e	AB graph ADC(2.5)	2022-03-31 08:26:04 +02:00
Pierre-Francois Loos	0dfa8835b1	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-03-30 22:57:22 +02:00
Pierre-Francois Loos	a1948cb896	ok with geometries for now	2022-03-30 22:57:16 +02:00
EnzoMonino	6804480ab6	figures D2h D4h ADC(2.5)	2022-03-30 17:51:43 +02:00
Pierre-Francois Loos	e79f2f3d5a	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-03-30 17:30:56 +02:00
Pierre-Francois Loos	fadde84861	saving work in geom	2022-03-30 17:30:50 +02:00
EnzoMonino	851115daf5	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-03-30 17:26:44 +02:00
EnzoMonino	dca43cae66	ADC(2.5) values	2022-03-30 17:26:40 +02:00
Pierre-Francois Loos	be0465cfb2	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-03-30 17:03:24 +02:00
Pierre-Francois Loos	0ba168eab1	ok with abstract, intro and comp details for now	2022-03-30 17:03:19 +02:00
EnzoMonino	499c6de611	correction label graph D4h	2022-03-30 16:46:47 +02:00
Pierre-Francois Loos	a4a4274aed	saving work. Again issue in state labels	2022-03-28 22:44:57 +02:00
EnzoMonino	3eff5aecd8	correction on graphs	2022-03-25 15:44:59 +01:00
Pierre-Francois Loos	5ea396ce96	almost done with comp details	2022-03-24 22:37:16 +01:00
Pierre-Francois Loos	d4badd4e73	saving work in comp details	2022-03-24 15:07:08 +01:00
Pierre-Francois Loos	070d37c5c9	saving work in comp details	2022-03-23 22:36:43 +01:00
Pierre-Francois Loos	4ad7e8adcb	saving work in comp details	2022-03-23 17:14:00 +01:00
Pierre-Francois Loos	69f786fd04	OK with intro for now	2022-03-23 17:06:13 +01:00
Pierre-Francois Loos	edd571cf6b	saving work in intro	2022-03-23 11:59:28 +01:00
Pierre-Francois Loos	d8c198538f	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-03-23 10:55:58 +01:00
Pierre-Francois Loos	7266883428	saving work	2022-03-23 10:55:45 +01:00
EnzoMonino	6f2a61e207	figure 1 Enzo	2022-03-23 10:49:24 +01:00
EnzoMonino	098c2d4acc	correction of states Enzo	2022-03-22 10:08:01 +01:00
Pierre-Francois Loos	15a69731ec	saving work	2022-03-21 22:29:11 +01:00
Pierre-Francois Loos	3eece725ed	stop coz of problem of state labels	2022-03-21 22:19:47 +01:00
Pierre-Francois Loos	fad899be58	abstract	2022-03-21 17:08:59 +01:00
EnzoMonino	f7ad2c1d8a	minor corrections Enzo	2022-03-21 16:05:12 +01:00
Pierre-Francois Loos	3b4d7d3c52	minor corrections from T2	2022-03-21 14:22:50 +01:00
EnzoMonino	7320cacad9	Manuscript update	2022-03-21 09:23:18 +01:00
Pierre-Francois Loos	363127773e	typos and others for Enzo	2022-03-14 15:29:31 +01:00
EnzoMonino	2be233eea6	Manuscript update literature	2022-03-14 09:41:40 +01:00
EnzoMonino	343df00dd0	Manuscript update	2022-03-09 11:05:23 +01:00
EnzoMonino	6420680e01	Manuscript update	2022-03-08 16:00:51 +01:00
EnzoMonino	31cce8bf15	Manuscript update	2022-03-08 10:53:12 +01:00
EnzoMonino	272a80f7da	Manuscript/CBD.tex	2022-03-07 15:46:33 +01:00
EnzoMonino	e4906129bc	D4h and D2h figures	2022-02-14 09:42:01 +01:00
EnzoMonino	49314dee6d	TBE updates	2022-01-29 10:36:29 +01:00
EnzoMonino	15489e6dfc	TBE	2022-01-21 19:48:13 +01:00
EnzoMonino	a44b37e642	Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD	2022-01-20 11:03:17 +01:00
EnzoMonino	f81029aacf	TBE table	2022-01-20 11:02:52 +01:00
Pierre-Francois Loos	57bae7dd0b	standalone documentclass in figure1	2022-01-18 11:57:02 +01:00
EnzoMonino	7f7f258c89	figures	2022-01-17 14:25:11 +01:00
EnzoMonino	85e639674a	excited states D4h	2022-01-03 16:26:25 +01:00
EnzoMonino	c88b37a9e6	D2h excited states update	2021-12-24 15:43:09 +01:00
EnzoMonino	952a4b184a	Manuscript update D2h excited states	2021-12-23 18:39:12 +01:00
EnzoMonino	ab6113fb09	Autoisomerization part	2021-12-14 13:50:37 +01:00
EnzoMonino	c8e4d81ba2	Manuscript updates	2021-12-10 15:02:29 +01:00
Pierre-Francois Loos	cf39ee9870	modifs footnotes	2021-11-29 15:28:23 +01:00
EnzoMonino	2a6b18b889	Notebook updates	2021-11-29 15:01:04 +01:00
EnzoMonino	c31007608a	Manuscript	2021-07-02 09:18:41 +02:00
EnzoMonino	17318c887a	Manuscript	2021-06-10 11:10:19 +02:00
EnzoMonino	bd8fa5b9af	manuscript updates	2021-05-17 15:06:15 +02:00
EnzoMonino	9cb7d3794e	Manuscript + Notebook	2021-04-23 07:27:35 +02:00