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507 results: 507 articles and 0 books or book chapters
Last updated: 2024/04/11-
181
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). -
182
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). -
183
Assessing the global natural orbital functional approximation on model
systems with strong correlation
I. Mitxelena, and M. Piris
J. Chem. Phys. 160, 204106 (2024). -
184
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). -
185
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). -
186
Time evolution of natural orbitals in ab initio molecular dynamics
A. Rivero Santamaria, and M. Piris
J. Chem. Phys. 160, 071102 (2024). -
187
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). -
188
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). -
189
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). -
190
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). -
191
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). -
192
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). -
193
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). -
194
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). -
195
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). -
196
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). -
197
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). -
198
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). -
199
Exploring the role of surface roughness in concrete-based thermal energy
storage systems: A computational study
M. Rahjoo, E. Rojas, G. Goracci, and J. S. Dolado
J. Energy Storage 88, 111515 (2024). -
200
Luminescence of Nd3+-doped LaF3 glass-ceramics enhanced with Ag
nanoparticles
M. Sedano, G. Gorni, G. C. Mather, A. Duran, J. Fernandez, R. Balda, and M. J. Pascual
J. Eur. Ceram. Soc. 44, 2427 (2024).