Commit Graph

20 Commits

Author SHA1 Message Date
012a41b200 single excitation CIS 2020-11-23 12:41:03 +01:00
5c333fbb08 sf-tddft for H2 2020-11-23 11:26:47 +01:00
45b57566c7 sf-tddft for H2 2020-11-23 11:00:06 +01:00
a0d22860fc add S square and excitations of sf-cis 2020-11-20 09:26:43 +01:00
45c2c662e3 mv the inputs and outputs of Be calculation 2020-11-20 09:18:48 +01:00
0098a9447f test the change directory 2020-11-20 09:12:10 +01:00
f9351f5e3c remove directory 2020-11-20 09:01:37 +01:00
b8072d9f63 ouput of EOM-CCSD 2020-11-20 08:58:00 +01:00
9b278e4c72 change in the directory 2020-11-20 07:46:08 +01:00
1f4c33cefd add H2 triplet state energy with SF-CIS 2020-11-19 16:57:28 +01:00
076478f338 EOM-CCSD results for H2 2020-11-16 07:19:22 +01:00
d2406e9997 EOM singlets for H2 2020-11-13 07:25:06 +01:00
5f27d01adf Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE 2020-11-12 08:20:19 +01:00
6a8d599bda EOM results on H2 2020-11-12 08:18:49 +01:00
EnzoMonino
983c139826 H2 SF-CIS notebook 2020-11-05 16:39:28 +01:00
036ea70207 results of SF-CIS on H2 2020-11-05 11:39:13 +01:00
c0bd9c59c6 input and output of SF-TDDFT 2020-11-04 10:05:19 +01:00
0f9a7a5328 input and output 2020-11-04 09:55:11 +01:00
EnzoMonino
297fc09d83 output and input of the BSE calculations 2020-11-03 17:04:17 +01:00
EnzoMonino
ecfbf70ce2 Add output 2020-11-03 09:34:26 +01:00