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1,671 to 1,680 of 11,091 Results

Terms_of_reuse_Torp.pdf Sep 30, 2020 - Covid-19 Municipal Level (Norway) Social Science Dataset Adobe PDF - 195.7 KB - MD5: 35ad1f5ed9fc6684f28180d85c745535
Terms_of_reuse_Valgdirektoratet.pdf Sep 30, 2020 - Covid-19 Municipal Level (Norway) Social Science Dataset Adobe PDF - 286.7 KB - MD5: 6b2d18761225d71f116c3cdb1dafe685
GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK Mar 9, 2017 Jensen, Stig Rune; Saha, Santanu; Flores-Livas, José Abdenago; Huhn, William; Blum, Volker; Goedecker, Stefan; Frediani, Luca, 2017, "GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK", https://doi.org/10.18710/0EM0EL, DataverseNO, V3 Highly accurate Density Functional Theory (GGA-PBE and hybrid-PBE0) total energies, atomization energies and dipole moments computed with four different electronic structure codes: MRChem using multiwavelet basis sets; FHI-aims using numeric atom-centered orbitals; NWChem using G...
computational_details.pdf Mar 9, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK Adobe PDF - 191.1 KB - MD5: 90941b3b97728432378b8d0c63eb68cf
geometries.txt Feb 15, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK Plain Text - 80.9 KB - MD5: b0929027cd007efca9f4b3652763f6a9
LDA_atomic_energies.txt Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK Plain Text - 9.7 KB - MD5: e32872dfc21707e26ca366c071850ea2
PBE0_atomic_energies.txt Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK Plain Text - 12.0 KB - MD5: d49fc8d12be53ee51fa824624f6d3c83
PBE0_atomization_energies.txt Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK Plain Text - 101.9 KB - MD5: 698bafb3107d7335f27038ab83c56f21
PBE0_dipole_moments.txt Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK Plain Text - 97.4 KB - MD5: 4a54a550a42edd8831482d20147e9674
PBE0_molecular_energies.txt Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK Plain Text - 104.0 KB - MD5: 5ec63f3158546083e19d6e3f97810c5e

Terms_of_reuse_Torp.pdf

Sep 30, 2020 - Covid-19 Municipal Level (Norway) Social Science Dataset

Adobe PDF - 195.7 KB -

Terms_of_reuse_Valgdirektoratet.pdf

Sep 30, 2020 - Covid-19 Municipal Level (Norway) Social Science Dataset

Adobe PDF - 286.7 KB -

GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK

Mar 9, 2017

Jensen, Stig Rune; Saha, Santanu; Flores-Livas, José Abdenago; Huhn, William; Blum, Volker; Goedecker, Stefan; Frediani, Luca, 2017, "GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK", https://doi.org/10.18710/0EM0EL, DataverseNO, V3

Highly accurate Density Functional Theory (GGA-PBE and hybrid-PBE0) total energies, atomization energies and dipole moments computed with four different electronic structure codes: MRChem using multiwavelet basis sets; FHI-aims using numeric atom-centered orbitals; NWChem using G...

computational_details.pdf

Mar 9, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK

Adobe PDF - 191.1 KB -

geometries.txt

Feb 15, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK

Plain Text - 80.9 KB -

LDA_atomic_energies.txt

Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK

Plain Text - 9.7 KB -

PBE0_atomic_energies.txt

Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK

Plain Text - 12.0 KB -

PBE0_atomization_energies.txt

Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK

Plain Text - 101.9 KB -

PBE0_dipole_moments.txt

Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK

Plain Text - 97.4 KB -

PBE0_molecular_energies.txt

Feb 27, 2017 - GGA-PBE and hybrid-PBE0 energies and dipole moments with MRChem, FHI-aims, NWChem and ELK

Plain Text - 104.0 KB -

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