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374 results: 374 articles and 0 books or book chapters
Last updated: 11/04/2024-
121
Electromagnetic estimation of mechanical stress in steel elements by
using magnetic induction
M. A. Garcia, J. Vinolas, M. S. G. Alonso, and A. Hernando
J. Appl. Phys. 135, 245101 (2024). -
122
Influence of atomistic features in plasmon-exciton coupling and charge
transfer driven by a single molecule in a metallic nanocavity
B. Candelas, N. Zabala, P. Koval, A. Babaze, D. Sanchez-Portal, and J. Aizpurua
J. Chem. Phys. 161, 044707 (2024). -
123
Activation volume and quantum tunneling in the hydrogen transferreaction between methyl radical and methane: a first computational study
R. Cammi, and B. Chen
J. Chem. Phys. 160, 104103 (2024). -
124
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). -
125
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). -
126
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). -
127
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). -
128
Assessing the global natural orbital functional approximation on model
systems with strong correlation
I. Mitxelena, and M. Piris
J. Chem. Phys. 160, 204106 (2024). -
129
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). -
130
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). -
131
Time evolution of natural orbitals in ab initio molecular dynamics
A. Rivero Santamaria, and M. Piris
J. Chem. Phys. 160, 071102 (2024). -
132
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). -
133
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). -
134
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). -
135
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). -
136
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). -
137
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). -
138
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). -
139
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). -
140
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).