biblio

2019-09-25 09:58:03 +02:00 · 2019-09-25 09:58:03 +02:00 · f7eec028bf
commit f7eec028bf
parent 2613d6cf6f
236 changed files with 228589 additions and 0 deletions
--- a/Data/GW20_srDFT_def2SVP.dat
+++ b/Data/GW20_srDFT_def2SVP.dat
@ -0,0 +1,20 @@
+He -1.083229757587175E-002 -1.235680791461561E-002
+Ne -1.902674073646834E-002 -2.659836043200363E-002
+H2 -6.269790287648761E-003 -6.168653321254036E-003
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+LiH -7.009607538498435E-003 -5.492134064088596E-003
+FH -1.750294568249320E-002 -2.350014132297493E-002
+Ar -1.634391625688584E-002 -1.896321508050156E-002
+H2O -1.541102085526358E-002 -1.928146566216735E-002
+LiF -1.720697452768278E-002 -2.274804606148213E-002
+HCl -1.485423437164095E-002 -1.607503593473423E-002
+BeO -1.467435359624419E-002 -1.762189928563819E-002
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+N2 -1.303527884507372E-002 -1.529101445903873E-002
+CH4 -9.206474008791649E-003 -9.827882389914716E-003
+BH3 -7.730399174461120E-003 -7.739295576861197E-003
+NH3 -1.277481972260225E-002 -1.449251490873414E-002
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+SH2 -1.301772685854210E-002 -1.325904434364928E-002
+F2 -1.854320558161340E-002 -2.497523726615144E-002
--- a/Data/GW71_FCI_def2TZVP.dat
+++ b/Data/GW71_FCI_def2TZVP.dat
@ -0,0 +1,67 @@
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--- a/References/Aryasetiawan_1998.pdf
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--- a/References/Bartlett_1981.pdf
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--- a/References/Baym_1962.pdf
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--- a/References/Bayne_2018.pdf
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--- a/References/Berger_2010.pdf
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--- a/References/Berger_2012.pdf
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--- a/References/Berkelbach_2018.pdf
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--- a/References/Blase_2011.pdf
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--- a/References/Ke_2011.pdf
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