Commit Graph

149 Commits

Author SHA1 Message Date
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
eb5d69eb59 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD 2022-04-06 11:11:02 +02:00
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
5b83268c83 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD 2022-04-05 16:28:24 +02:00
88c8a727bc Piotr reference values 2022-04-05 16:28:18 +02:00
82b80aec29 first cleanup of D2h done 2022-04-05 16:20:43 +02:00
cf15d753d0 fix bib 2022-04-05 15:33:24 +02:00
25f571e1f4 resolving issue 2022-04-05 14:13:03 +02:00
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
90770ba4b5 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD 2022-04-04 16:55:08 +02:00
544d2845a7 updated figures+Ssquare 2022-04-04 16:54:09 +02:00
0875e53654 swap lines 2022-04-04 15:07:43 +02:00
a6d41f6490 SC-NEVPT2(12,12) figure 2 2022-04-04 10:01:47 +02:00
691ed04ccf SC and PC 2022-04-04 09:56:20 +02:00
6c31035f65 updated TBEs 2022-04-04 08:50:52 +02:00
a2f79e6e52 figures without MRCI 2022-04-04 08:42:24 +02:00
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
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
fd340674e3 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD 2022-04-01 09:30:05 +02:00
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
c1af148d02 ok up to geom 2022-03-31 10:52:56 +02:00
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
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
851115daf5 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD 2022-03-30 17:26:44 +02:00
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
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
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
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
6f2a61e207 figure 1 Enzo 2022-03-23 10:49:24 +01:00
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
fad899be58 abstract 2022-03-21 17:08:59 +01:00
f7ad2c1d8a minor corrections Enzo 2022-03-21 16:05:12 +01:00
3b4d7d3c52 minor corrections from T2 2022-03-21 14:22:50 +01:00
7320cacad9 Manuscript update 2022-03-21 09:23:18 +01:00
363127773e typos and others for Enzo 2022-03-14 15:29:31 +01:00
2be233eea6 Manuscript update literature 2022-03-14 09:41:40 +01:00
343df00dd0 Manuscript update 2022-03-09 11:05:23 +01:00
6420680e01 Manuscript update 2022-03-08 16:00:51 +01:00
31cce8bf15 Manuscript update 2022-03-08 10:53:12 +01:00
272a80f7da Manuscript/CBD.tex 2022-03-07 15:46:33 +01:00
e4906129bc D4h and D2h figures 2022-02-14 09:42:01 +01:00
49314dee6d TBE updates 2022-01-29 10:36:29 +01:00
15489e6dfc TBE 2022-01-21 19:48:13 +01:00
a44b37e642 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD 2022-01-20 11:03:17 +01:00
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
7f7f258c89 figures 2022-01-17 14:25:11 +01:00
85e639674a excited states D4h 2022-01-03 16:26:25 +01:00
c88b37a9e6 D2h excited states update 2021-12-24 15:43:09 +01:00
952a4b184a Manuscript update D2h excited states 2021-12-23 18:39:12 +01:00
ab6113fb09 Autoisomerization part 2021-12-14 13:50:37 +01:00
c8e4d81ba2 Manuscript updates 2021-12-10 15:02:29 +01:00
cf39ee9870 modifs footnotes 2021-11-29 15:28:23 +01:00
2a6b18b889 Notebook updates 2021-11-29 15:01:04 +01:00
c31007608a Manuscript 2021-07-02 09:18:41 +02:00
17318c887a Manuscript 2021-06-10 11:10:19 +02:00
bd8fa5b9af manuscript updates 2021-05-17 15:06:15 +02:00
9cb7d3794e Manuscript + Notebook 2021-04-23 07:27:35 +02:00
dbec5bf97b D4h Notebook and Manuscript updates 2021-04-15 11:48:04 +02:00
1c54b466b4 Tables D4h 2021-04-14 11:38:59 +02:00
5fa99d5dbb Table D2h 2021-04-14 09:10:09 +02:00
cbb0aea908 Table CBD D2h 2021-04-12 15:57:47 +02:00
e90a525ea9 CBD Manuscript 2021-04-12 09:18:02 +02:00
2c26e82e1a Manuscript 2021-04-08 14:25:50 +02:00
9ef6a28f01 Manuscript 2021-04-08 13:39:15 +02:00
b4ca26d952 CBD Manuscript 2021-04-01 07:33:54 +02:00
6ccbd59794 CBD Manuscript 2021-03-31 11:55:38 +02:00
5e3a9f4574 Manuscript 2021-03-26 16:24:52 +01:00
ea3f206e59 authors 2021-03-25 15:22:42 +01:00
e78868d4bc authors 2021-03-25 15:21:12 +01:00
84792b94fb Manuscript CBD 2021-03-25 15:09:46 +01:00