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7377 results: 7317 articles and 60 books or book chapters

1. 1161 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. 1162 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. 1163 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. 1164 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. 1165 Planar tetracoordinate beryllium in σ-aromatic Li4Be and Na4Be clusters: a missing member in first-octal row planar tetracoordinate family
   L. -hong Miao, L. -juan Cui, H. Zhang, M. Orozco-Ic, Y. -F. Yang, S. Pan, and Z. -huaCui
   J. Chem. Phys. 161, 244303 (2024).
6. 1166 Assessing the global natural orbital functional approximation on model systems with strong correlation
   I. Mitxelena, and M. Piris
   J. Chem. Phys. 160, 204106 (2024).
7. 1167 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).
8. 1168 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).
9. 1169 Time evolution of natural orbitals in ab initio molecular dynamics
   A. Rivero Santamaria, and M. Piris
   J. Chem. Phys. 160, 071102 (2024).
10. 1170 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).
11. 1171 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).
12. 1172 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).
13. 1173 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).
14. 1174 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).
15. 1175 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).
16. 1176 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).
17. 1177 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(06), 012 (2024).
18. 1178 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(01), 008 (2024).
19. 1179 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. 2024(08), 24 (2024).
20. 1180 Exploring the discrepancy between Planck PR3 and ACT DR4
    Dhiraj Kumar Hazra, Benjamin Beringue, Josquin Errard, Arman Shafieloo and George F. Smoot
    J. Cosmol. Astropart. Phys. 2024, 38 (2024).