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83eb7e61c9
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Be fig in manuscript
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2020-11-30 15:36:56 +01:00 |
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9a13ad5138
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notebook
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2020-11-30 15:13:13 +01:00 |
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87c4452767
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sf-tddft excitations
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2020-11-26 18:20:48 +01:00 |
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e32db236ca
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sf-cis excitations
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2020-11-25 18:25:12 +01:00 |
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a288dc4304
|
eom-ccsd excitations
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2020-11-25 17:50:00 +01:00 |
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3b73b16075
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cis excitations
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2020-11-25 17:24:03 +01:00 |
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0ebe0cf013
|
single excitation TDDFT
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2020-11-23 16:25:34 +01:00 |
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d8f1a5f433
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second and third excitation EOM-CCSD
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2020-11-23 14:09:21 +01:00 |
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cd1835d71c
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first excitation EOM-CCSD
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2020-11-23 13:59:14 +01:00 |
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897c9a45d9
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CIS and sf-CIS results
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2020-11-23 12:46:04 +01:00 |
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012a41b200
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single excitation CIS
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2020-11-23 12:41:03 +01:00 |
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5c333fbb08
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sf-tddft for H2
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2020-11-23 11:26:47 +01:00 |
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45b57566c7
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sf-tddft for H2
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2020-11-23 11:00:06 +01:00 |
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a0d22860fc
|
add S square and excitations of sf-cis
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2020-11-20 09:26:43 +01:00 |
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45c2c662e3
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mv the inputs and outputs of Be calculation
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2020-11-20 09:18:48 +01:00 |
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0098a9447f
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test the change directory
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2020-11-20 09:12:10 +01:00 |
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f9351f5e3c
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remove directory
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2020-11-20 09:01:37 +01:00 |
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b8072d9f63
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ouput of EOM-CCSD
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2020-11-20 08:58:00 +01:00 |
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9b278e4c72
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change in the directory
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2020-11-20 07:46:08 +01:00 |
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1f4c33cefd
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add H2 triplet state energy with SF-CIS
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2020-11-19 16:57:28 +01:00 |
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076478f338
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EOM-CCSD results for H2
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2020-11-16 07:19:22 +01:00 |
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d2406e9997
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EOM singlets for H2
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2020-11-13 07:25:06 +01:00 |
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5f27d01adf
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
|
2020-11-12 08:20:19 +01:00 |
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6a8d599bda
|
EOM results on H2
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2020-11-12 08:18:49 +01:00 |
|
EnzoMonino
|
983c139826
|
H2 SF-CIS notebook
|
2020-11-05 16:39:28 +01:00 |
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a8d97564cb
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
|
2020-11-05 11:40:42 +01:00 |
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036ea70207
|
results of SF-CIS on H2
|
2020-11-05 11:39:13 +01:00 |
|
EnzoMonino
|
8ae37cf70a
|
results of qsGW
|
2020-11-05 11:00:25 +01:00 |
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c0bd9c59c6
|
input and output of SF-TDDFT
|
2020-11-04 10:05:19 +01:00 |
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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
|
2df42e549b
|
correction on ADC(3)
|
2020-11-03 16:57:58 +01:00 |
|
EnzoMonino
|
91f17b0227
|
Be results with ADC
|
2020-11-03 13:57:30 +01:00 |
|
EnzoMonino
|
ecfbf70ce2
|
Add output
|
2020-11-03 09:34:26 +01:00 |
|
EnzoMonino
|
defa9f9918
|
Quack results for Be
|
2020-11-03 08:49:01 +01:00 |
|
EnzoMonino
|
37e3301a8b
|
Be SF-TDDFT
|
2020-11-02 17:59:18 +01:00 |
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f68c0ffee1
|
Tab for Be
|
2020-10-30 13:12:56 +01:00 |
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be07f74849
|
1st iteration for theory
|
2020-10-28 14:37:49 +01:00 |
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9dc085055e
|
saving work in BSE section
|
2020-10-28 09:51:44 +01:00 |
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4629c55a76
|
getting there with the GW section
|
2020-10-27 22:32:24 +01:00 |
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cef3f20656
|
saving work
|
2020-10-27 14:01:50 +01:00 |
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92735a3ee2
|
saving work in GW
|
2020-10-25 21:29:40 +01:00 |
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fcc538b870
|
saving work
|
2020-10-25 13:30:30 +01:00 |
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64126158fc
|
starting adding text around the equations
|
2020-10-24 22:09:28 +02:00 |
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205603483b
|
saving work in S2 and f
|
2020-10-24 14:19:04 +02:00 |
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413b3f37d1
|
saving work
|
2020-10-23 15:13:15 +02:00 |
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7d10530dd1
|
saving work
|
2020-10-22 13:23:19 +02:00 |
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82853b8d65
|
saving work
|
2020-10-22 12:40:48 +02:00 |
|
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|
87bff2be08
|
saving work
|
2020-10-21 22:58:11 +02:00 |
|
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893ce4905d
|
saving work
|
2020-10-20 23:14:57 +02:00 |
|
