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0cb2b746e2
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Martial+Denis corrections
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2022-06-10 16:58:13 +02:00 |
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9ec78543e8
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MRCI+Q
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2022-06-10 11:12:53 +02:00 |
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997fd4e099
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SF-EOM-CCSD
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2022-06-09 23:01:30 +02:00 |
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b2d32c44d4
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EOM-SF -> SF-EOM
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2022-06-09 22:17:44 +02:00 |
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288925728c
|
minor corrections
|
2022-06-09 16:28:16 +02:00 |
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7a8d5bd874
|
saving work in revision
|
2022-06-08 18:49:43 +02:00 |
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c518fc6356
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update
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2022-06-08 14:17:56 +02:00 |
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e2a7ff2507
|
EOM-SF-CCSD discussion
|
2022-06-08 11:47:47 +02:00 |
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74e5b20711
|
update
|
2022-06-08 10:00:08 +02:00 |
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d8c2cdaa9c
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Manuscript updates
|
2022-06-07 17:01:21 +02:00 |
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54ee234a6a
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
|
2022-06-07 15:48:41 +02:00 |
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3b9e71e322
|
update
|
2022-06-07 15:48:36 +02:00 |
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47e0f61b5a
|
Ag
|
2022-06-07 15:44:11 +02:00 |
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4c410060d5
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Response+some data
|
2022-06-07 13:33:31 +02:00 |
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87ea0fede9
|
update
|
2022-06-04 17:04:42 +02:00 |
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2ed3ea43c2
|
fix SI problems
|
2022-05-25 14:33:13 +02:00 |
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93fbc5e32e
|
formatting sections
|
2022-05-25 14:23:44 +02:00 |
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d36fc00154
|
Manuscript corrections
|
2022-05-25 09:12:11 +02:00 |
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a171b36724
|
some edition corrections
|
2022-05-20 12:53:20 +02:00 |
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deaa7af595
|
some SF-EOM-CCSD results
|
2022-05-20 10:53:41 +02:00 |
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47c3aee992
|
biblio
|
2022-05-11 16:28:21 +02:00 |
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ef67864a65
|
Piotr's references
|
2022-05-11 14:18:20 +02:00 |
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c18f24f70d
|
CC4 -> CCSDTQ
|
2022-05-09 15:10:05 +02:00 |
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98006ca94c
|
update CC4 value for D2h triplet
|
2022-05-08 15:32:42 +02:00 |
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c461645933
|
submitted to JPCA
|
2022-04-11 16:46:07 +02:00 |
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9e7d67903a
|
rename for submission
|
2022-04-11 16:00:06 +02:00 |
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4f70931fb5
|
OK with manuscript
|
2022-04-11 15:48:24 +02:00 |
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4dade17fc7
|
ionic
|
2022-04-11 14:47:17 +02:00 |
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7258819f6f
|
corrections martial
|
2022-04-11 13:33:38 +02:00 |
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45e72c53f7
|
Toto typos
|
2022-04-11 10:07:03 +02:00 |
|
Pierre-Francois Loos
|
b2f4430d58
|
modifying discussion
|
2022-04-10 22:34:29 +02:00 |
|
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d5b7c7e79e
|
revise D4h TBE
|
2022-04-08 11:39:00 +02:00 |
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01c53281c7
|
revise TBE for D4h
|
2022-04-08 11:22:22 +02:00 |
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|
c6c0cbcbbe
|
revising D2h TBE
|
2022-04-08 10:34:38 +02:00 |
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|
9d94daaf04
|
CCSD D2h
|
2022-04-08 09:28:11 +02:00 |
|
Pierre-Francois Loos
|
b87280dada
|
OK for Denis comments
|
2022-04-07 22:37:25 +02:00 |
|
Pierre-Francois Loos
|
13c66deeca
|
Denis corrections
|
2022-04-07 21:34:35 +02:00 |
|
Pierre-Francois Loos
|
5288669637
|
donw for titou for now
|
2022-04-06 18:23:13 +02:00 |
|
Pierre-Francois Loos
|
68e1741294
|
saving work in final reading
|
2022-04-06 17:29:03 +02:00 |
|
Pierre-Francois Loos
|
1ae8c528ff
|
rough first draft done
|
2022-04-06 14:26:14 +02:00 |
|
Pierre-Francois Loos
|
6b49657428
|
almost done with D4h
|
2022-04-06 12:21:30 +02:00 |
|
Pierre-Francois Loos
|
6e8222d205
|
D4h SF-TDDFt
|
2022-04-06 11:08:41 +02:00 |
|
Pierre-Francois Loos
|
70478ff3a1
|
saving work in D4h
|
2022-04-05 22:22:40 +02:00 |
|
Pierre-Francois Loos
|
660adf0873
|
moving stuff in supporting information
|
2022-04-05 21:50:31 +02:00 |
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|
|
5b83268c83
|
Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
|
2022-04-05 16:28:24 +02:00 |
|
|
|
88c8a727bc
|
Piotr reference values
|
2022-04-05 16:28:18 +02:00 |
|
|
|
82b80aec29
|
first cleanup of D2h done
|
2022-04-05 16:20:43 +02:00 |
|
|
|
25f571e1f4
|
resolving issue
|
2022-04-05 14:13:03 +02:00 |
|
|
|
af58b4346d
|
saving work in D2h
|
2022-04-05 14:10:46 +02:00 |
|
Pierre-Francois Loos
|
77fa7f4076
|
saving work in D2h
|
2022-04-04 22:17:48 +02:00 |
|
