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6122 results: 6082 articles and 40 books or book chapters
Last updated: Apr 11, 2024-
81 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). -
82 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). -
83 Assessing the global natural orbital functional approximation on model systems with strong correlation
I. Mitxelena, and M. Piris
J. Chem. Phys. 160, 204106 (2024). -
84 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). -
85 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). -
86 Time evolution of natural orbitals in ab initio molecular dynamics
A. Rivero Santamaria, and M. Piris
J. Chem. Phys. 160, 071102 (2024). -
87 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). -
88 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). -
89 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). -
90 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). -
91 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). -
92 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). -
93 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. , 012 (2024). -
94 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). -
95 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). -
96 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). -
97 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). -
98 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). -
99 Search for hidden neutrinos at the European Spallation Source: the SHiNESS experiment
S. R. Soleti, P. Coloma, J. J. Gomez Cadenas, and A. Cabrera
J. High Energy Phys. 2024, 148 (2024). -
100 Design, characterization and installation of the NEXT-100 cathode and electroluminescence regions
K. Mistry, L. Rogers, B. J. P. Jones, B. Munson, L. Norman, D. Oliver, S. Pingulkar, M. Rodriguez-Tiscareno, K. Silva, K. Stogsdill, C. Adams, H. Almazan, V. Alvarez, B. Aparicio, A. I. Aranburu, L. Arazi, I. J. Arnquist, F. Auria-Luna, S. Ayet, C. D. R. Azevedo, et al.
J. Instrum. 19, P02007 (2024).