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c18f24f70d
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CC4 -> CCSDTQ
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2022-05-09 15:10:05 +02:00 |
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a4d5e8a99f
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correction
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2022-05-09 14:24:05 +02:00 |
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b1ef3b205e
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fig3
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2022-05-09 13:50:16 +02:00 |
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d72522232f
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new TBE triplet D2h
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2022-05-09 13:40:28 +02:00 |
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eec53a94a5
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fig3+TBE table
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2022-05-09 08:34:23 +02:00 |
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98006ca94c
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update CC4 value for D2h triplet
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2022-05-08 15:32:42 +02:00 |
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e11e7d148f
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fig1
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2022-04-12 09:08:41 +02:00 |
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c461645933
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submitted to JPCA
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2022-04-11 16:46:07 +02:00 |
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5b2d2f9799
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cover letter
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2022-04-11 16:00:37 +02:00 |
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9e7d67903a
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rename for submission
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2022-04-11 16:00:06 +02:00 |
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47ae507ecd
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SI
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2022-04-11 15:52:14 +02:00 |
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4f70931fb5
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OK with manuscript
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2022-04-11 15:48:24 +02:00 |
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4dade17fc7
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ionic
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2022-04-11 14:47:17 +02:00 |
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efa71e0c35
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AB figure
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2022-04-11 13:40:30 +02:00 |
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7258819f6f
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corrections martial
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2022-04-11 13:33:38 +02:00 |
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45e72c53f7
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Toto typos
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2022-04-11 10:07:03 +02:00 |
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Pierre-Francois Loos
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b2f4430d58
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modifying discussion
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2022-04-10 22:34:29 +02:00 |
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b96aeaa01c
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updates CC4 and TBEs
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2022-04-08 12:27:27 +02:00 |
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d5b7c7e79e
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revise D4h TBE
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2022-04-08 11:39:00 +02:00 |
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01c53281c7
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revise TBE for D4h
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2022-04-08 11:22:22 +02:00 |
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1f8ce097d4
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Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/CBD
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2022-04-08 10:34:46 +02:00 |
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c6c0cbcbbe
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revising D2h TBE
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2022-04-08 10:34:38 +02:00 |
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4f8b83f057
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CCSD values in TBEs table
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2022-04-08 10:07:41 +02:00 |
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8f4e5df58d
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figure D2h with CCSD
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2022-04-08 09:52:23 +02:00 |
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9d94daaf04
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CCSD D2h
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2022-04-08 09:28:11 +02:00 |
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Pierre-Francois Loos
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b87280dada
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OK for Denis comments
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2022-04-07 22:37:25 +02:00 |
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Pierre-Francois Loos
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13c66deeca
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Denis corrections
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2022-04-07 21:34:35 +02:00 |
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Pierre-Francois Loos
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5288669637
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donw for titou for now
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2022-04-06 18:23:13 +02:00 |
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Pierre-Francois Loos
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68e1741294
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saving work in final reading
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2022-04-06 17:29:03 +02:00 |
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Pierre-Francois Loos
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1ae8c528ff
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rough first draft done
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2022-04-06 14:26:14 +02:00 |
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Pierre-Francois Loos
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6b49657428
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almost done with D4h
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2022-04-06 12:21:30 +02:00 |
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eb5d69eb59
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-06 11:11:02 +02:00 |
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4491dafb82
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new figure2
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2022-04-06 11:10:57 +02:00 |
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Pierre-Francois Loos
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6e8222d205
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D4h SF-TDDFt
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2022-04-06 11:08:41 +02:00 |
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Pierre-Francois Loos
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70478ff3a1
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saving work in D4h
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2022-04-05 22:22:40 +02:00 |
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Pierre-Francois Loos
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660adf0873
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moving stuff in supporting information
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2022-04-05 21:50:31 +02:00 |
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5b83268c83
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-05 16:28:24 +02:00 |
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88c8a727bc
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Piotr reference values
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2022-04-05 16:28:18 +02:00 |
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82b80aec29
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first cleanup of D2h done
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2022-04-05 16:20:43 +02:00 |
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cf15d753d0
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fix bib
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2022-04-05 15:33:24 +02:00 |
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25f571e1f4
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resolving issue
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2022-04-05 14:13:03 +02:00 |
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af58b4346d
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saving work in D2h
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2022-04-05 14:10:46 +02:00 |
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Pierre-Francois Loos
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77fa7f4076
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saving work in D2h
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2022-04-04 22:17:48 +02:00 |
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90770ba4b5
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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/CBD
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2022-04-04 16:55:08 +02:00 |
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544d2845a7
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updated figures+Ssquare
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2022-04-04 16:54:09 +02:00 |
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0875e53654
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swap lines
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2022-04-04 15:07:43 +02:00 |
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a6d41f6490
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SC-NEVPT2(12,12) figure 2
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2022-04-04 10:01:47 +02:00 |
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691ed04ccf
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SC and PC
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2022-04-04 09:56:20 +02:00 |
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6c31035f65
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updated TBEs
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2022-04-04 08:50:52 +02:00 |
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a2f79e6e52
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figures without MRCI
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2022-04-04 08:42:24 +02:00 |
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