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5958a3904d
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H2 EOM-CCSD output
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2021-01-19 16:58:52 +01:00 |
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e534bb8b0e
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H2 TDDFT Gaussian results
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2021-01-19 16:33:50 +01:00 |
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3aa0ccdfbd
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SF-BSE_S2 fig
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2021-01-19 16:23:48 +01:00 |
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f25ec7747c
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SI
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2021-01-19 16:22:58 +01:00 |
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3c1cc67254
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
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2021-01-19 15:21:44 +01:00 |
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08bcfe005d
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typo
|
2021-01-19 15:21:30 +01:00 |
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a9c5953927
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remove tddft qchem results
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2021-01-19 14:37:10 +01:00 |
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5f2b87cd35
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H2 CIS results
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2021-01-19 14:32:36 +01:00 |
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5ffb54703c
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H2 CIS output
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2021-01-19 14:22:38 +01:00 |
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9ab1eb9ab0
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE
|
2021-01-19 14:11:38 +01:00 |
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b90703cad1
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H2 output
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2021-01-19 14:09:55 +01:00 |
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bcbc2d53f4
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paragraph for S2 in H2
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2021-01-19 14:03:31 +01:00 |
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0e294ec542
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Done with computational details
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2021-01-19 12:28:16 +01:00 |
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7379c6db23
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conclusion
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2021-01-19 12:20:28 +01:00 |
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c26e52bf23
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S2 figures
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2021-01-19 11:52:37 +01:00 |
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326c8058b0
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S2 figures
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2021-01-19 11:48:58 +01:00 |
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1c31cca939
|
done with BSE
|
2021-01-19 10:05:09 +01:00 |
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39168c9395
|
done with GW section
|
2021-01-19 09:52:21 +01:00 |
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fefe95a0a9
|
done with abstract and introduction
|
2021-01-19 09:37:36 +01:00 |
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573e9047f1
|
Done with results for now
|
2021-01-18 21:27:59 +01:00 |
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cd85cf4d3c
|
Done with CBD for now
|
2021-01-18 18:23:34 +01:00 |
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5c8d045d51
|
almost done with CBD
|
2021-01-18 17:09:57 +01:00 |
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d6dad8419b
|
done with H2 for now
|
2021-01-18 15:40:29 +01:00 |
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1267eac57c
|
new figures
|
2021-01-18 13:59:36 +01:00 |
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375b013c8b
|
fix conflict
|
2021-01-18 11:50:38 +01:00 |
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6873d4a413
|
Table Be
|
2021-01-18 11:46:03 +01:00 |
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241030dd19
|
done for now with Be results
|
2021-01-18 11:45:10 +01:00 |
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9b176ba9ef
|
done for now with Be results
|
2021-01-18 11:35:53 +01:00 |
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4aef613a8e
|
last SF-CIS numbers
|
2021-01-18 10:05:45 +01:00 |
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756775fa2a
|
test
|
2021-01-18 09:38:41 +01:00 |
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79ebaaf3aa
|
BSE output H2
|
2021-01-18 09:35:59 +01:00 |
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|
4db0bb356b
|
grid
|
2021-01-17 23:27:46 +01:00 |
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|
bcd765e332
|
saving work in results
|
2021-01-17 22:45:54 +01:00 |
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|
2632bf1fae
|
new figures from Enzo
|
2021-01-17 21:28:19 +01:00 |
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|
e2e6567947
|
oscillator strenght
|
2021-01-17 21:23:36 +01:00 |
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|
71254a83b4
|
cleanup bib
|
2021-01-17 20:18:37 +01:00 |
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|
|
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 |
|
|
|
7a3d60c3f4
|
saving work
|
2021-01-17 10:06:31 +01:00 |
|
|
|
e7c1acf66a
|
saving work
|
2021-01-17 09:58:57 +01:00 |
|
|
|
cb8bbbcf55
|
fci outputs
|
2021-01-16 20:18:04 +01:00 |
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|
ae42fa3f92
|
saving work in Be
|
2021-01-16 14:25:33 +01:00 |
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a48eed1393
|
saving work in Be
|
2021-01-16 13:48:36 +01:00 |
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1db56f7dd2
|
Be big basis
|
2021-01-15 22:59:16 +01:00 |
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|
|
230de50013
|
cbutadiene results q-chem
|
2021-01-15 11:21:40 +01:00 |
|
|
|
7eca342a8a
|
rearrangement
|
2021-01-15 11:15:57 +01:00 |
|
|
|
3f84c3cc51
|
cbutadiene results
|
2021-01-15 11:10:58 +01:00 |
|
|
|
40166bb38c
|
Be results
|
2021-01-15 11:04:59 +01:00 |
|
|
|
19fd545614
|
Be results
|
2021-01-15 11:03:18 +01:00 |
|
|
|
92c2724190
|
Figure BSE + Tables
|
2021-01-15 11:01:01 +01:00 |
|
