Commit Graph

115 Commits

Author SHA1 Message Date
b2d32c44d4 EOM-SF -> SF-EOM 2022-06-09 22:17:44 +02:00
288925728c minor corrections 2022-06-09 16:28:16 +02:00
7a8d5bd874 saving work in revision 2022-06-08 18:49:43 +02:00
c518fc6356 update 2022-06-08 14:17:56 +02:00
e2a7ff2507 EOM-SF-CCSD discussion 2022-06-08 11:47:47 +02:00
74e5b20711 update 2022-06-08 10:00:08 +02:00
d8c2cdaa9c Manuscript updates 2022-06-07 17:01:21 +02:00
54ee234a6a Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD 2022-06-07 15:48:41 +02:00
3b9e71e322 update 2022-06-07 15:48:36 +02:00
47e0f61b5a Ag 2022-06-07 15:44:11 +02:00
4c410060d5 Response+some data 2022-06-07 13:33:31 +02:00
87ea0fede9 update 2022-06-04 17:04:42 +02:00
2ed3ea43c2 fix SI problems 2022-05-25 14:33:13 +02:00
93fbc5e32e formatting sections 2022-05-25 14:23:44 +02:00
d36fc00154 Manuscript corrections 2022-05-25 09:12:11 +02:00
a171b36724 some edition corrections 2022-05-20 12:53:20 +02:00
deaa7af595 some SF-EOM-CCSD results 2022-05-20 10:53:41 +02:00
47c3aee992 biblio 2022-05-11 16:28:21 +02:00
ef67864a65 Piotr's references 2022-05-11 14:18:20 +02:00
c18f24f70d CC4 -> CCSDTQ 2022-05-09 15:10:05 +02:00
98006ca94c update CC4 value for D2h triplet 2022-05-08 15:32:42 +02:00
c461645933 submitted to JPCA 2022-04-11 16:46:07 +02:00
9e7d67903a rename for submission 2022-04-11 16:00:06 +02:00
4f70931fb5 OK with manuscript 2022-04-11 15:48:24 +02:00
4dade17fc7 ionic 2022-04-11 14:47:17 +02:00
7258819f6f corrections martial 2022-04-11 13:33:38 +02:00
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
d5b7c7e79e revise D4h TBE 2022-04-08 11:39:00 +02:00
01c53281c7 revise TBE for D4h 2022-04-08 11:22:22 +02:00
c6c0cbcbbe revising D2h TBE 2022-04-08 10:34:38 +02:00
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
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
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
0875e53654 swap lines 2022-04-04 15:07:43 +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