Buscador de publicaciones
Búsqueda avanzada
Buscar resultados
7416 results: 7356 articles and 60 books or book chapters
Last updated: 05/11/2026-
1201
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). -
1202
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). -
1203
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). -
1204
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). -
1205
Assessing the global natural orbital functional approximation on model
systems with strong correlation
I. Mitxelena, and M. Piris
J. Chem. Phys. 160, 204106 (2024). -
1206
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). -
1207
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). -
1208
Time evolution of natural orbitals in ab initio molecular dynamics
A. Rivero Santamaria, and M. Piris
J. Chem. Phys. 160, 071102 (2024). -
1209
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). -
1210
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). -
1211
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). -
1212
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). -
1213
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). -
1214
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). -
1215
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). -
1216
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). -
1217
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). -
1218
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). -
1219
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). -
1220
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).