scholarly article | Q13442814 |
P818 | arXiv ID | 1405.1466 |
P356 | DOI | 10.1063/1.4768228 |
P724 | Internet Archive ID | arxiv-1405.1466 |
P698 | PubMed publication ID | 23205995 |
P5875 | ResearchGate publication ID | 233837142 |
P50 | author | Marcin Modrzejewski | Q47323634 |
P2093 | author name string | Grzegorz Chałasiński | |
Małgorzata M Szczęśniak | |||
Michał Lesiuk | |||
Łukasz Rajchel | |||
P2860 | cites work | Density-functional exchange-energy approximation with correct asymptotic behavior | Q21709057 |
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Generalized Gradient Approximation Made Simple | Q25938998 | ||
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Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data | Q27336048 | ||
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections | Q28300017 | ||
Systematic optimization of long-range corrected hybrid density functionals | Q29035841 | ||
Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem | Q33984911 | ||
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Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits | Q34445619 | ||
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu | Q43084146 | ||
Dispersion-free component of non-covalent interaction via mutual polarization of fragment densities. | Q51358767 | ||
Effect of the damping function in dispersion corrected density functional theory. | Q51596718 | ||
Semiempirical GGA-type density functional constructed with a long-range dispersion correction. | Q51629241 | ||
Improved interaction energy benchmarks for dimers of biological relevance. | Q51699423 | ||
An Assessment of Density Functional Methods for Potential Energy Curves of Nonbonded Interactions: The XYG3 and B97-D Approximations. | Q51716409 | ||
General atomic and molecular electronic structure system | Q56017006 | ||
Advances in electronic structure theory | Q56672680 | ||
A new all-round density functional based on spin states and S[sub N]2 barriers | Q56880685 | ||
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun | Q57402104 | ||
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions | Q57402160 | ||
Benchmark Databases for Nonbonded Interactions and Their Use To Test Density Functional Theory | Q57402182 | ||
Design of Density Functionals That Are Broadly Accurate for Thermochemistry, Thermochemical Kinetics, and Nonbonded Interactions | Q57402194 | ||
A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions | Q58201162 | ||
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs | Q58445407 | ||
P433 | issue | 20 | |
P407 | language of work or name | English | Q1860 |
P304 | page(s) | 204121 | |
P577 | publication date | 2012-11-01 | |
P1433 | published in | Journal of Chemical Physics | Q900472 |
P1476 | title | A first-principles-based correlation functional for harmonious connection of short-range correlation and long-range dispersion | |
P478 | volume | 137 |
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