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7316 results: 7256 articles and 60 books or book chapters

Last updated: 2026/08/17
  1. Scientific article 1101 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).
  2. Scientific article 1102 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).
  3. Scientific article 1103 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).
  4. Scientific article 1104 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).
  5. Scientific article 1105 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. Scientific article 1106 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. Scientific article 1107 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. Scientific article 1108 Time evolution of natural orbitals in ab initio molecular dynamics
    A. Rivero Santamaria, and M. Piris
    J. Chem. Phys. 160, 071102 (2024).
  9. Scientific article 1109 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. Scientific article 1110 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. Scientific article 1111 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. Scientific article 1112 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. Scientific article 1113 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. Scientific article 1114 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. Scientific article 1115 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. Scientific article 1116 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).
  17. Scientific article 1117 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).
  18. Scientific article 1118 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).
  19. Scientific article 1119 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).
  20. Scientific article 1120 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(02), 15 (2024).
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