Hydrogen Basis-Sets:


H_5-11G*_dovesi_1984

1 4
0 0 5 1.0 1.0
 120.0 0.000267
 40.0 0.002249
 12.8 0.006389
 4.0 0.032906
 1.2 0.095512
0 0 1 0.0 1.0
 0.5 1.0
0 0 1 0.0 1.0
 0.13 1.0
0 2 1 0.0 1.0
 0.3 1.0

R. Dovesi, E. Ermondi, E. Ferrero, C. Pisani and C. Roetti,
``Hartree-Fock study of lithium hydride with the use of a polarizable basis set'',
Phys. Rev. B 29, 3591-3600 (1983).


H_3-1p1G_gatti_1994

1 3
0 0 3 1.0 1.0
 .1873113696D+02 .3349460434D-01
 .2825394365D+01 .2347269535D+00
 .6401216923D+00 .8137573262D+00
0 0 1 0.0 1.0
 .1612777588D+00 .1000000000D+01
0 2 1 0.0 1.0
 .1100000000D+01 .1000000000D+01

C. Gatti, V.R. Saunders,C. Roetti,
"Crystal-field effects on the topological properties of the electron-density in molecular-crystals - the case of urea",
J. Chem. Phys. 101, 10686-10696 (1994).

also used in:

- B. Civalleri, S. Casassa, E. Garrone, C. Pisani, P. Ugliengo,
 "Quantum mechanical ab initio characterization of a simple periodic model of the silica surface",
 J. Phys. Chem. B 103, 2165-2171 (1999).

- B. Civalleri, A.M. Ferrari, M. Llunell, R. Orlando, M. Merawa, P. Ugliengo, 
 ``Cation selectivity in alkali-exchanged chabazite: an ab-initio periodic study'',
 Chem. Mater. 15, 3996-4004 (2003).

- M. Corno, C. Busco, B. Civalleri and P. Ugliengo, 
 ``Periodic ab initio study of structural and vibrational features of 
 hexagonal hydroxyapatite Ca10(PO4)6(OH)2'' 
 Physical Chemistry Chemical Physics 8, 2464-2472 (2006).
R. Dovesi, E. Ermondi, E. Ferrero, C. Pisani and C. Roetti,
``Hartree-Fock study of lithium hydride with the use of a polarizable basis set'',
Phys. Rev. B 29, 3591-3600 (1983).

H_pob_TZVP_2012

1 4
0 0 3 1.0 1.0
34.061341000 0.00602519780
5.1235746000 0.04502109400
1.1646626000 0.20189726000
0 0 1 0.0 1.0
0.4157455100 1.00000000000
0 0 1 0.0 1.0
0.1795111000 1.00000000000
0 2 1 0.0 1.0
0.8000000000 1.00000000000

M. F. Peintinger, D. Vilela Oliveira, and T. Bredow
"Consistent Gaussian Basis Sets of Triple-Zeta Valence with 
Polarization Quality for Solid-State Calculations",
Journal of Computational Chemistry 2012, DOI: 10.1002/jcc.23153

H_pob_DZVP_rev2

1 3
0 0 3 1 1
  24.62344998        0.01857031
  3.640664800        0.14010862
  0.773177290        0.55558583
0 0 1 0 1
  0.196065500        1.00000000
0 2 1 0 1
  0.184819860        1.00000000

D. Vilela Oliveira, M. F. Peintinger, J. Laun, and T. Bredow
"BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations",
Journal of Computational Chemistry 2019, 40, 2364–2376 DOI: 10.1002/jcc.26013

H_pob_TZVP_rev2

1 4
0 0 3 1.0 1.0
  34.061341000      0.00602519780
  5.1235746000      0.04502109400
  1.1646626000      0.20189726000
0 0 1 0.0 1.0
  0.5157455100      1.00000000000
0 0 1 0.0 1.0
  0.1795111000      1.00000000000
0 2 1 0.0 1.0
  0.5000000000      1.00000000000

D. Vilela Oliveira, M. F. Peintinger, J. Laun, and T. Bredow
"BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations",
Journal of Computational Chemistry 2019, 40, 2364–2376 DOI: 10.1002/jcc.26013