loos/srDFT_G2
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Data and manuscript for Loos et al. J. Phys. Chem. Lett. 10, 2931 (2019).
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Emmanuel Giner f1e4015e88 produced total energies in vdz and vtz for g09
2019-03-27 11:46:26 +01:00
Data g09 input 2019-03-25 22:30:19 +01:00
Data_DFT sorted data_HF 2019-03-27 11:09:04 +01:00
G09 produced total energies in vdz and vtz for g09 2019-03-27 11:46:26 +01:00
Manuscript added the g09_zmat_to_qp_create.py 2019-03-26 14:03:27 +01:00
Ref added all new fresh clean data with the QP for G2 Klopper 2019-03-27 10:56:27 +01:00
References refs 2019-03-22 17:21:29 +01:00
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