loos/srDFT_Ex
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity

updated data for methylene

Browse Source
This commit is contained in:
Emmanuel Giner 2019-05-09 00:59:36 +02:00
parent 3d3cc92cce
commit d403d5b903
1 changed files with 18 additions and 18 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

36
Manuscript/Ex-srDFT.tex
View File

@ -147,29 +147,29 @@ In the present study, we rely on the recently proposed short-range density-funct
& -39.03964(3) & 1.392
& -38.99867(1) & 2.507 \\
exFCI+srLDA & AVDZ &
& & 0.347
& & 1.431
& & 2.590 \\
& & 0.334
& & 1.421
& & 2.586 \\
& AVTZ &
& & 0.360
& & 1.377
& & 2.513 \\
& & 1.374
& & 2.514 \\
& AVQZ &
& & 0.371
& & 1.376
& & 2.498 \\
exFCI+srPBE & AVDZ &
& & 0.358
& & 1.420
& & 2.529 \\
& & ?????
& & ?????
& & ????? \\
exFCI+srPBontop & AVDZ &
& & 0.348
& & 1.402
& & 2.512 \\
& AVTZ &
& & 0.373
& & 1.383
& & 2.496 \\
& AVQZ &
& & 0.380
& & 1.381
& & 0.375
& & 1.378
& & 2.492 \\
& AVQZ &
& & ?????
& & ?????
& & ????? \\
HBCI & AVQZ & -39.08849(1)
& -39.07404(1) & 0.393
& -39.03711(1) & 1.398