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6361 results: 6321 articles and 40 books or book chapters

1. 181 Softmax parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches
   L. Franco, I. A. Bonfil-Rivera, J. F. H. Lew-Yee, M. Piris, J. M. del Campo, and R. A. Vargas-Hernandez
   J. Chem. Phys. 160, 244107 (2024).
2. 182 Decoherence ensures convergence of non-adiabatic molecular dynamics with number of states
   D. Liu, B. Wang, A. S. Vasenko, and O. V. Prezhdo
   J. Chem. Phys. 161, 064104 (2024).
3. 183 Non-adiabatic electronic relaxation of tetracene from its brightest singlet excited state
   A. Scognamiglio, K. S. Thalmann, S. Hartweg, N. Rendler, L. Bruder, P. B. Coto, M. Thoss, and F. Stienkemeier
   J. Chem. Phys. 161, 024302 (2024).
4. 184 APOST-3D: chemical concepts from wavefunction analysis
   P. Salvador, E. Ramos-Cordoba, M. Montilla, L. Pujal, and M. Gimferrer
   J. Chem. Phys. 160, 172502 (2024).
5. 185 Assessing the global natural orbital functional approximation on model systems with strong correlation
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 160, 204106 (2024).
6. 186 Intramolecular singlet fission: quantum dynamical simulations including the effect of the laser field
   S. R. Reddy, P. B. Coto, and M. Thoss
   J. Chem. Phys. 160, 194306 (2024).
7. 187 Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
   L. A. Montero-Cabrera, A. L. Montero-Alejo, A. Aspuru-Guzik, J. M. G. de la Vega, M. Piris, L. A. Diaz-Fernandez, Y. Perez-Badell, A. Guerra-Barroso, J. E. Alfonso-Ramos, J. Rodriguez, M. E. Fuentes, and C. M. de Armas
   J. Chem. Phys. 160, 214108 (2024).
8. 188 Time evolution of natural orbitals in ab initio molecular dynamics
   A. Rivero Santamaria, and M. Piris
   J. Chem. Phys. 160, 071102 (2024).
9. 189 Electronic couplings for triplet-triplet annihilation upconversion in cystal rubrene
   A. Diaz-Andres, C. Tonnele, and D. Casanova
   J. Chem. Theory Comput. 20, 4288 (2024).
10. 190 Electron-spin relaxation in boron-doped graphene nanoribbons
    R. A. Boto, A. Cebreiro-Gallardo, R. E. Menchon, and D. Casanova
    J. Chem. Theory Comput. 20, 9906 (2024).
11. 191 Physically motivated improvements of variational quantum eigensolvers
    N. Vaquero-Sabater, A. Carreras, R. Orus, N. J. Mayhall, and D. Casanova
    J. Chem. Theory Comput. 20, 5133 (2024).
12. 192 Small-occupation density functional correlation energy correction to wave function approximations
    J. A. Rodriguez-Jimenez, A. Carreras, and D. Casanova
    J. Chem. Theory Comput. 20, 1118 (2024).
13. 193 Spurious oscillations caused by density functional approximations: Who is to blame? Exchange or correlation?
    S. P. Sitkiewicz, R. R. Ferradas, E. Ramos-Cordoba, R. Zalesny, E. Matito, and J. M. Luis
    J. Chem. Theory Comput. 20, 3144 (2024).
14. 194 Excited states by coupling Piris natural orbital functionals with the extended random-phase approximation
    J. F. H. Lew-Yee, I. A. Bonfil-Rivera, M. Piris, and J. M. del Campo
    J. Chem. Theory Comput. 20, 2140 (2024).
15. 195 Adaptive multi-stage integration schemes for Hamiltonian Monte Carlo
    L. Nagar, M. Fernandez-Pendas, J. M. Sanz-Serna, and E. Akhmatskaya
    J. Comput. Phys. 502, 112800 (2024).
16. 196 Growth history and quasar bias evolution at z < 3 from Quaia
    G. Piccirilli, G. Fabbian, D. Alonso, K. Storey-Fisher, J. Carron, A. Lewis, and C. Garcia-Garcia
    J. Cosmol. Astropart. Phys. 2024, 012 (2024).
17. 197 The effective field theory of large-scale structure and multi-tracer II:redshift space and realistic tracers
    T. Mergulhao, H. Rubirab, and R. Voivodicc
    J. Cosmol. Astropart. Phys. 2024, 008 (2024).
18. 198 Cosmic shear with small scales: DES-Y3, KiDS-1000 and HSC-DR1
    C. Garcia-Garcia, M. Zennaro, G. Arico, D. Alonso, and R. E. Angulo
    J. Cosmol. Astropart. Phys. 8, 24 (2024).
19. 199 Galaxy bias in the era of LSST: perturbative bias expansions
    A. Nicola, B. Hadzhiyska, N. Findlay, C. Garcia-Garcia, D. Alonso, A. Slosar, Z. Guo, N. Kokron, R. Angulo, A. Aviles, J. Blazek, J. Dunkley, B. Jain, M. Pellejero, J. Sullivan, C. W. Walter, and M. Zennaro
    J. Cosmol. Astropart. Phys. 2024, 15 (2024).
20. 200 Study of paraffinic and biobased microencapsulated PCMs with reduced graphene oxide as thermal energy storage elements in cement-based materials for building applications
    E. Erkizia, C. Strunz, J. -l. Dauvergne, G. Goracci, I. Peralta, A. Serrano, A. Ortega, B. Alonso, F. Zanoni, M. Duengfelder, J. S. Dolado, J. J. Gaitero, C. Mankel, and E. Koenders
    J. Energy Storage 84, 110675 (2024).