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57157bf151
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new graph
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2019-04-13 21:49:32 +02:00 |
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8414bf42de
|
results section
|
2019-04-13 18:53:02 +02:00 |
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4e1ce9d055
|
results Ec G2
|
2019-04-12 23:46:03 +02:00 |
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01190020f1
|
Theory almost done
|
2019-04-12 14:57:20 +02:00 |
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7d9d9f86cf
|
RSDFT
|
2019-04-12 14:12:02 +02:00 |
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ee6a62a5d4
|
RSDFT
|
2019-04-12 13:56:33 +02:00 |
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b3406fe888
|
Ec
|
2019-04-12 13:03:43 +02:00 |
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de11198b1d
|
valence OK
|
2019-04-12 12:31:47 +02:00 |
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|
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8297f46b68
|
valence OK
|
2019-04-12 10:28:00 +02:00 |
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|
|
009e5f0e67
|
up to RSDFT
|
2019-04-12 09:47:09 +02:00 |
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de92f8ea5a
|
up to RSDFT
|
2019-04-12 09:44:04 +02:00 |
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|
fc88583c47
|
notations alsmost OK
|
2019-04-11 22:59:03 +02:00 |
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|
9b57a2fff9
|
notations alsmost OK
|
2019-04-11 22:32:00 +02:00 |
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|
|
380d05082e
|
still working on the notations
|
2019-04-11 21:32:45 +02:00 |
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308830cf20
|
still working on the notations
|
2019-04-11 21:30:23 +02:00 |
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d4f80c67c9
|
Major change of notations
|
2019-04-11 21:11:57 +02:00 |
|
eginer
|
3ba710fd4e
|
minor modif in tex
|
2019-04-11 18:02:40 +02:00 |
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f5c820a402
|
Major change of notations
|
2019-04-11 16:48:24 +02:00 |
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a31bf45633
|
intro
|
2019-04-11 15:16:01 +02:00 |
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0f8e0595db
|
abstract
|
2019-04-11 14:05:06 +02:00 |
|
Emmanuel Giner
|
afc543ca6a
|
updated manuscript
|
2019-04-11 13:33:14 +02:00 |
|
Emmanuel Giner
|
950e19d034
|
updated manuscript
|
2019-04-10 23:42:46 +02:00 |
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7728f43677
|
More corrections and more results
|
2019-04-10 11:40:42 +02:00 |
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2324940172
|
Update results
|
2019-04-10 11:17:50 +02:00 |
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9667910515
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-04-09 18:28:41 +02:00 |
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|
f0a0c9c4c6
|
small changes
|
2019-04-09 18:28:30 +02:00 |
|
eginer
|
fef0ef4f02
|
update
|
2019-04-09 18:25:54 +02:00 |
|
eginer
|
61deb2d99e
|
updated manuscript
|
2019-04-09 17:39:59 +02:00 |
|
eginer
|
71c7607f9c
|
updated data
|
2019-04-09 14:51:49 +02:00 |
|
Emmanuel Giner
|
63c4575dbc
|
updated manuscript
|
2019-04-09 12:37:17 +02:00 |
|
Emmanuel Giner
|
1d7626bed0
|
modified manuscript
|
2019-04-09 12:15:57 +02:00 |
|
Emmanuel Giner
|
bc3956a69f
|
added the +infty condition on n2
|
2019-04-09 00:31:29 +02:00 |
|
Emmanuel Giner
|
fffb4a47fd
|
working on the manuscript
|
2019-04-09 00:14:26 +02:00 |
|
eginer
|
0f07bcf3ce
|
updated manuscript
|
2019-04-08 17:23:47 +02:00 |
|
eginer
|
0a99d5a3da
|
updated manuscript
|
2019-04-08 16:13:47 +02:00 |
|
Emmanuel Giner
|
a4f89808bb
|
working on the manuscript
|
2019-04-08 12:13:44 +02:00 |
|
|
|
45aaef12e4
|
abstract
|
2019-04-07 23:22:32 +02:00 |
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|
d500416690
|
1st cleanup of results done
|
2019-04-07 21:36:12 +02:00 |
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|
aec2656ac8
|
More refs
|
2019-04-07 15:01:05 +02:00 |
|
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|
6910fd8408
|
adding references
|
2019-04-07 14:41:14 +02:00 |
|
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|
0490f035c8
|
2 extra comments
|
2019-04-07 14:05:34 +02:00 |
|
|
|
7fd4b7a0e0
|
Starting modifying results
|
2019-04-06 23:14:11 +02:00 |
|
|
|
56adf9ddb6
|
Theory OK for T2
|
2019-04-06 21:38:53 +02:00 |
|
|
|
035148a3a9
|
Theory OK for T2
|
2019-04-06 21:32:29 +02:00 |
|
|
|
b294c14818
|
refs
|
2019-04-06 20:25:34 +02:00 |
|
Emmanuel Giner
|
c6b2f2cb76
|
comments
|
2019-04-06 16:40:57 +02:00 |
|
|
|
7d46a0e403
|
T2 almost happy
|
2019-04-06 15:42:33 +02:00 |
|
|
|
bfa23f48da
|
theory
|
2019-04-06 15:10:49 +02:00 |
|
|
|
eeccf20717
|
theory
|
2019-04-06 14:41:48 +02:00 |
|
|
|
4b7d5b035b
|
theory
|
2019-04-06 12:13:33 +02:00 |
|
|
|
b4bea9bb87
|
theory
|
2019-04-06 11:47:48 +02:00 |
|
|
|
99deb35b7c
|
Tables and Figs OK
|
2019-04-06 00:40:28 +02:00 |
|
|
|
a56c43cc92
|
commit b4 erase table
|
2019-04-06 00:21:18 +02:00 |
|
|
|
b3e7ff3b6b
|
results
|
2019-04-05 23:58:59 +02:00 |
|
eginer
|
61a118bc11
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-04-05 15:47:59 +02:00 |
|
eginer
|
26889d5691
|
pouet
|
2019-04-05 15:47:55 +02:00 |
|
|
|
64b9f3ae10
|
getting there
|
2019-04-05 15:34:11 +02:00 |
|
|
|
e142c34d2c
|
getting there
|
2019-04-05 15:23:07 +02:00 |
|
|
|
6d60670292
|
getting there
|
2019-04-05 14:18:33 +02:00 |
|
|
|
1a978d60a0
|
LDA and PBE
|
2019-04-05 14:01:17 +02:00 |
|
|
|
f0eec872ca
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-04-05 12:21:58 +02:00 |
|
|
|
412fab2084
|
Bread on the board
|
2019-04-05 12:21:37 +02:00 |
|
Emmanuel Giner
|
2b679ac766
|
updated tab for C2
|
2019-04-05 11:52:27 +02:00 |
|
|
|
d99dac8be8
|
Bread on the board
|
2019-04-05 00:11:34 +02:00 |
|
|
|
8db9a5f54d
|
Done with valence
|
2019-04-04 23:19:00 +02:00 |
|
|
|
50b0f82a34
|
Done with effective operator
|
2019-04-04 22:39:40 +02:00 |
|
|
|
d6399f5dde
|
work in progress
|
2019-04-04 21:57:12 +02:00 |
|
|
|
1f3c11517e
|
work in progress
|
2019-04-04 21:53:32 +02:00 |
|
eginer
|
1c038ae2d4
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-04-04 18:08:36 +02:00 |
|
eginer
|
ea311c4337
|
working on the manuscript
|
2019-04-04 18:08:21 +02:00 |
|
|
|
de40e4c6cf
|
work in progress
|
2019-04-04 17:59:12 +02:00 |
|
eginer
|
dfa28a56f2
|
modifed manuscript
|
2019-04-04 16:47:03 +02:00 |
|
|
|
4fe079b2c2
|
First page done
|
2019-04-04 16:39:02 +02:00 |
|
|
|
61047ab3b3
|
First page done
|
2019-04-04 16:37:29 +02:00 |
|
eginer
|
f8527ef341
|
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
|
2019-04-04 16:09:39 +02:00 |
|
eginer
|
ea6320fac2
|
updated table
|
2019-04-04 16:09:35 +02:00 |
|
|
|
1fa30f93af
|
SI
|
2019-04-04 15:14:31 +02:00 |
|
eginer
|
d1510cdfe5
|
updated bib
|
2019-04-04 15:06:30 +02:00 |
|
eginer
|
3ade4c1bad
|
added Ref from Julien
|
2019-04-04 15:03:36 +02:00 |
|
|
|
96a6f4b625
|
SI
|
2019-04-04 13:43:22 +02:00 |
|
|
|
ae3688f71d
|
Intro 1st shot
|
2019-04-03 22:57:09 +02:00 |
|
|
|
10e74cf734
|
Intro 1st shot
|
2019-04-03 22:55:36 +02:00 |
|
|
|
033b13935d
|
Intro 1st shot
|
2019-04-03 22:55:12 +02:00 |
|
Emmanuel Giner
|
9a7d98c0ec
|
updated manuscript
|
2019-04-03 17:34:31 +02:00 |
|
Emmanuel Giner
|
a788cbdf53
|
updated manuscript
|
2019-04-03 16:05:52 +02:00 |
|
Emmanuel Giner
|
c05a355335
|
pouet
|
2019-04-02 18:20:10 +02:00 |
|
eginer
|
4def99ccba
|
updated manuscript
|
2019-04-02 16:23:05 +02:00 |
|
eginer
|
1b5a13dd59
|
updated manuscript
|
2019-04-02 16:16:54 +02:00 |
|
eginer
|
e5036cbbfc
|
updated
|
2019-04-02 14:15:35 +02:00 |
|
eginer
|
94de9393e0
|
added Li2.out BeH.out LiH.out Na2.out for mixed core in vqz
|
2019-04-02 12:28:53 +02:00 |
|
eginer
|
660c637311
|
finished table for manuscript
|
2019-04-02 11:07:57 +02:00 |
|
eginer
|
73411105be
|
updated manusript
|
2019-04-01 14:04:58 +02:00 |
|
Emmanuel Giner
|
7c18cfb653
|
updated manuscript
|
2019-04-01 11:49:21 +02:00 |
|
Emmanuel Giner
|
b75a64e6ea
|
added get_cc.sh
|
2019-04-01 11:25:54 +02:00 |
|
Emmanuel Giner
|
98ba6ac4d0
|
updated atomization energies
|
2019-03-31 19:02:01 +02:00 |
|
Emmanuel Giner
|
261dad14fd
|
updated manuscript
|
2019-03-31 17:57:41 +02:00 |
|
Emmanuel Giner
|
88b5e14eab
|
added data vqz
|
2019-03-31 17:01:41 +02:00 |
|
eginer
|
981def21a3
|
added extrapolated data and reorganized tab
|
2019-03-29 13:38:44 +01:00 |
|
eginer
|
bfffa331cb
|
entered data for N2 at CCSD(T) level for vdz and vtz
|
2019-03-28 16:45:38 +01:00 |
|
eginer
|
694a342953
|
added G2-srDFT.bib
|
2019-03-28 15:14:31 +01:00 |
|
