updated data for methylene

This commit is contained in:
Emmanuel Giner 2019-05-09 00:59:36 +02:00
parent 3d3cc92cce
commit d403d5b903

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