loos/srDFT_G2
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Emmanuel Giner 037daa63d1 updated the data with the Na Be and Li in Big_data Mixed_core
2019-04-09 00:34:31 +02:00
Big_data
updated the data with the Na Be and Li in Big_data Mixed_core
2019-04-09 00:34:31 +02:00
Data
data
2019-04-06 20:27:44 +02:00
Data_DFT
added the core valence calculations
2019-04-08 20:56:21 +02:00
G09
Merge branch 'master' of https://github.com/pfloos/srDFT_G2
2019-04-05 20:48:47 +02:00
Manuscript
added the +infty condition on n2
2019-04-09 00:31:29 +02:00
Ref
updated atomization energies
2019-03-31 19:10:04 +02:00
References
data
2019-04-06 20:27:44 +02:00
README.md
Initial commit
2018-12-04 15:13:53 +01:00
srDFT_G2.nb
refs
2019-03-22 15:34:15 +01:00

README.md

srDFT_G2

Description
Data and manuscript for Loos et al. J. Phys. Chem. Lett. 10, 2931 (2019).
Readme 80 MiB
Languages
TeX 95.3%
Python 2.3%
Shell 2.2%
Gnuplot 0.1%