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61. Full Text Relativistic nuclear energy density functionals: Mean-field and beyond
by Nikšić, T and Vretenar, D and Ring, P
Progress in particle and nuclear physics, ISSN 0146-6410, 2011, Volume 66, Issue 3, pp. 519 - 548
Nuclear structure | Collective correlations | Nuclear density functional theory and extensions | Physical Sciences | Physics, Nuclear | Physics, Particles & Fields | Physics | Science & Technology | Nuclear energy | Physics - Nuclear Theory
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62. Full Text Multilevel Density Functional Theory
by Marrazzini, Gioia and Giovannini, Tommaso and Scavino, Marco and Egidi, Franco and Cappelli, Chiara and Koch, Henrik
Journal of chemical theory and computation, ISSN 1549-9618, 02/2021, Volume 17, Issue 2, pp. 791 - 803
Quantum Electronic Structure | Density functional theory | Embedding | Aqueous solutions | Orthogonality | Multilevel | Index Medicus
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63. Full Text Communication: Exciton analysis in time-dependent density functional theory: How functionals shape excited-state characters
by Mewes, Stefanie A and Plasser, Felix and Dreuw, Andreas
The Journal of chemical physics, ISSN 0021-9606, 11/2015, Volume 143, Issue 17, pp. 171101 - 171101
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Time dependence | Density functional theory | Excitons | Charge transfer
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64. Full Text Strongly Constrained and Appropriately Normed Semilocal Density Functional
by Sun, Jianwei and Ruzsinszky, Adrienn and Perdew, Johnp
Physical review letters, ISSN 0031-9007, 07/2015, Volume 115, Issue 3, pp. 036402 - 036402
Physics, Multidisciplinary | Physical Sciences | Physics | Science & Technology | Exchange | Constraints | Approximation | Mathematical analysis | Norms | Electron density | Lattice parameters | Density
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65. Full Text A new family of hybrid density functionals
by Swart, Marcel
Chemical physics letters, ISSN 0009-2614, 08/2013, Volume 580, pp. 166 - 171
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
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66. Full Text Exchange coupling constants using density functional theory: Long‐range corrected functionals
by Ruiz, Eliseo
Journal of computational chemistry, ISSN 0192-8651, 07/2011, Volume 32, Issue 9, pp. 1998 - 2004
density functional calculations | exchange interactions | magnetic properties | transition metal complexes | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Asymptotic methods | Quantum physics | Molecular chemistry
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67. Full Text Applications of metal-organic frameworks featuring multi-functional sites
by Li, Baiyan and Chrzanowski, Matthew and Zhang, Yiming and Ma, Shengqian
Coordination chemistry reviews, ISSN 0010-8545, 01/2016, Volume 307, pp. 106 - 129
Proton conductivity | Optics | Metal-organic framework | Catalysis | Multi-functional sites | Gas adsorption/separation | Physical Sciences | Chemistry, Inorganic & Nuclear | Chemistry | Science & Technology | Heterogeneous catalysis | Cytokinins | Dimethylformamide | Oxalic acid | Density functionals | Nitriles | Oxalates | High performance liquid chromatography | Electric properties | Porphyrins
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68. Full Text Spin‐component‐scaled double hybrids: An extensive search for the best fifth‐rung functionals blending DFT and perturbation theory
by Kozuch, Sebastian and Martin, Jan M. L
Journal of computational chemistry, ISSN 0192-8651, 10/2013, Volume 34, Issue 27, pp. 2327 - 2344
thermochemical kinetics | dispersion | thermochemistry | density functional theory | double hybrid | Chemistry | Correlation analysis | Spectrum analysis | Physical chemistry | Cost analysis | Quantum physics | Dispersion
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