Commit Graph

182 Commits

Author SHA1 Message Date
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
6236d191d7 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 18:33:28 +01:00
f221fcc2e3 cover letter 2021-01-19 18:33:20 +01:00
0991e92ea3 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 17:10:48 +01:00
10d7e68234 one more ref 2021-01-19 17:10:41 +01:00
9f6c5a9917 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 16:59:40 +01:00
5958a3904d H2 EOM-CCSD output 2021-01-19 16:58:52 +01:00
de86ab0cd6 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 16:52:52 +01:00
5c572d247a acs style 2021-01-19 16:52:43 +01:00
e534bb8b0e H2 TDDFT Gaussian results 2021-01-19 16:33:50 +01:00
3aa0ccdfbd SF-BSE_S2 fig 2021-01-19 16:23:48 +01:00
f25ec7747c SI 2021-01-19 16:22:58 +01:00
3c1cc67254 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 15:21:44 +01:00
08bcfe005d typo 2021-01-19 15:21:30 +01:00
a9c5953927 remove tddft qchem results 2021-01-19 14:37:10 +01:00
5f2b87cd35 H2 CIS results 2021-01-19 14:32:36 +01:00
5ffb54703c H2 CIS output 2021-01-19 14:22:38 +01:00
9ab1eb9ab0 Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2021-01-19 14:11:38 +01:00
b90703cad1 H2 output 2021-01-19 14:09:55 +01:00
bcbc2d53f4 paragraph for S2 in H2 2021-01-19 14:03:31 +01:00
0e294ec542 Done with computational details 2021-01-19 12:28:16 +01:00
7379c6db23 conclusion 2021-01-19 12:20:28 +01:00
c26e52bf23 S2 figures 2021-01-19 11:52:37 +01:00
326c8058b0 S2 figures 2021-01-19 11:48:58 +01:00
1c31cca939 done with BSE 2021-01-19 10:05:09 +01:00
39168c9395 done with GW section 2021-01-19 09:52:21 +01:00
fefe95a0a9 done with abstract and introduction 2021-01-19 09:37:36 +01:00
573e9047f1 Done with results for now 2021-01-18 21:27:59 +01:00
cd85cf4d3c Done with CBD for now 2021-01-18 18:23:34 +01:00
5c8d045d51 almost done with CBD 2021-01-18 17:09:57 +01:00
d6dad8419b done with H2 for now 2021-01-18 15:40:29 +01:00
1267eac57c new figures 2021-01-18 13:59:36 +01:00
375b013c8b fix conflict 2021-01-18 11:50:38 +01:00
6873d4a413 Table Be 2021-01-18 11:46:03 +01:00
241030dd19 done for now with Be results 2021-01-18 11:45:10 +01:00
9b176ba9ef done for now with Be results 2021-01-18 11:35:53 +01:00
4aef613a8e last SF-CIS numbers 2021-01-18 10:05:45 +01:00
756775fa2a test 2021-01-18 09:38:41 +01:00
79ebaaf3aa BSE output H2 2021-01-18 09:35:59 +01:00
4db0bb356b grid 2021-01-17 23:27:46 +01:00
bcd765e332 saving work in results 2021-01-17 22:45:54 +01:00
2632bf1fae new figures from Enzo 2021-01-17 21:28:19 +01:00
e2e6567947 oscillator strenght 2021-01-17 21:23:36 +01:00
71254a83b4 cleanup bib 2021-01-17 20:18:37 +01:00
ae9674c03f saving work in H2 2021-01-17 15:25:29 +01:00
1912a3875f saving work in H2 2021-01-17 15:11:21 +01:00