|
CBD_CIPSI
|
remove slurm files
|
2021-04-14 11:45:10 +02:00 |
|
CIPSI/D4h
|
last value Toto
|
2021-03-29 13:29:51 +02:00 |
|
D4h/spin-flip
|
outputs D4h SF-TDDFT
|
2021-04-15 09:12:36 +02:00 |
|
Data
|
new CAS results for (4,4)
|
2022-04-02 18:19:41 +02:00 |
|
EOM-SF-CC_2_3
|
SF-TDDFT CBD
|
2021-03-01 16:10:06 +01:00 |
|
EOM-SF-CCSD
|
input and ouput CBD
|
2021-02-11 21:58:22 +01:00 |
|
Manuscript
|
Toto typos
|
2022-04-11 10:07:03 +02:00 |
|
Notebooks
|
Manuscript
|
2021-06-10 11:10:19 +02:00 |
|
References
|
Autoisomerization part
|
2021-12-14 13:50:37 +01:00 |
|
SF-ADC
|
D4h outputs
|
2021-03-23 15:00:29 +01:00 |
|
SF-CIS
|
input and output
|
2021-02-08 15:47:19 +01:00 |
|
SF-CIS-D
|
SF-CIS(D) AVDZ
|
2021-03-10 11:07:12 +01:00 |
|
SF-TDDFT
|
SF-CIS(D) first basis
|
2021-03-10 10:56:58 +01:00 |
|
README.md
|
first commit
|
2021-01-25 16:33:16 +01:00 |
