Commit Graph

227 Commits

Author SHA1 Message Date
295a047526 figure 1 2021-02-25 16:28:44 +01:00
4fe6a6451b figures 2021-02-25 16:22:41 +01:00
edcc428e04 saving ork in revision 2021-02-25 10:08:39 +01:00
25c0231a50 saving ork in revision 2021-02-25 10:01:29 +01:00
bab006b758 qsGW for Be 2021-02-24 22:37:04 +01:00
dd77928968 response letter 2021-02-24 17:24:49 +01:00
2b69534bab saving work in revision 2021-02-24 13:45:49 +01:00
6bd6e2a24e response letter 2021-02-24 11:42:44 +01:00
925e54175c response letter 2021-02-24 09:42:24 +01:00
b3dc95c768 inputs and outputs CAM-B3LYP for H2 2021-02-23 13:27:26 +01:00
6d5843ab96 figure 2021-02-23 13:16:32 +01:00
c84c655a37 figures 2021-02-23 13:12:46 +01:00
53fc14e23f Graph CAM_B3LYP H2 2021-02-23 11:51:54 +01:00
a5043b0b1a Graph CAM-B3LYP for H2 2021-02-23 11:49:39 +01:00
26e290f4d6 inputs and outputs Be and CBD 2021-02-23 09:45:35 +01:00
f8710d1668 notebook Be and CBD 2021-02-23 09:38:24 +01:00
a3bbe50259 Be SF-TD-CAM-B3LYP 2021-02-23 09:21:18 +01:00
69052899fb SF-TD-CAM-B3LYP 2021-02-23 09:03:39 +01:00
4a808fdf7d typo 2021-02-22 10:30:48 +01:00
9d15de83e0 rename output 2021-01-22 16:55:53 +01:00
9fa1f72f7f new figures 2021-01-22 15:38:24 +01:00
38a6a77225 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-22 14:47:12 +01:00
334aced980 small typos 2021-01-22 14:47:03 +01:00
593b35ca3e H2 Notebook 2021-01-21 18:34:43 +01:00
ea0478944a H2 outputs 2021-01-21 18:12:22 +01:00
d0faf9f87a CBD outputs and inputs 2021-01-21 18:00:27 +01:00
d22dee6a00 small modifications in tables 2021-01-21 16:42:38 +01:00
7486e30a43 Tables 2021-01-21 16:28:52 +01:00
4db2c2c5a1 Table 2021-01-21 13:46:37 +01:00
74b9388d0c minor modifs in captions 2021-01-21 13:02:33 +01:00
acd7e9bc7b rename figs 2021-01-21 12:53:58 +01:00
42ec4ee415 rename figs 2021-01-21 12:53:16 +01:00
2549a759df TOC 2021-01-21 12:06:17 +01:00
2c14770632 minor changes in abstract and intro 2021-01-20 22:25:22 +01:00
59ad3ae420 minor corrections in results 2021-01-20 21:36:41 +01:00
4d0fde1be0 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-20 18:04:38 +01:00
ceb50cbf93 new figures 2021-01-20 18:04:30 +01:00
b418d7c530 new figures 2021-01-20 18:04:07 +01:00
226a37acb8 H2 BHHLYP results 2021-01-20 17:13:20 +01:00
223a1a011b H2 B3LYP results 2021-01-20 16:19:16 +01:00
6ad02c866f Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-20 15:55:13 +01:00
f1d05e6ac3 H2 BLYP results 2021-01-20 15:54:32 +01:00
1d6a475ff2 swap states D4h 2021-01-20 15:35:28 +01:00
c1f56bede3 H2 TD-BLYP results 2021-01-20 14:53:30 +01:00
b90e1326d8 graphs SI 2021-01-20 13:55:58 +01:00
bc157d649b H2 SF-BLYP results 2021-01-20 12:08:02 +01:00
05095381c5 H2 sf-td-b3lyp results 2021-01-20 08:44:17 +01:00
ecb8acd30d H2 b3lyp results 2021-01-20 08:12:46 +01:00
42b51637e9 modif Pina 2021-01-19 22:05:31 +01:00
a37955653c cover letter done 2021-01-19 19:31:27 +01:00