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
 Li2 -4.785232065383179E-003 -3.214669752185339E-003
 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
 CO -1.143693668644844E-002 -1.249779464996761E-002
 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
 BF -7.173173528646356E-003 -6.490578001225448E-003
 BN -1.149972139957730E-002 -1.260248574622631E-002
 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/Bayne_2018.pdf
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--- a/References/Berger_2010.pdf
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