Zobrazeno 1 - 10
of 92
pro vyhledávání: '"Lorenzo Ugo Ancarani"'
Publikováno v:
Journal of Computational Chemistry
Journal of Computational Chemistry, Wiley, 2021, 42 (32), pp.2294-2305. ⟨10.1002/jcc.26760⟩
Journal of Computational Chemistry, Wiley, 2021, 42 (32), pp.2294-2305. ⟨10.1002/jcc.26760⟩
We develop and implement a Gaussian approach to calculate partial cross-sections and asymmetry parameters for molecular photoionization. Optimal sets of complex Gaussian-type orbitals (cGTOs) are first obtained by non-linear optimization, to best fit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b58f3c87b2ad4f6994e23605ddb6a4cb
https://hal.archives-ouvertes.fr/hal-03431550/document
https://hal.archives-ouvertes.fr/hal-03431550/document
Publikováno v:
New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes ISBN: 9780128235461
Multicentric integrals that involve a continuum state cannot be evaluated with the usual quantum chemistry tools and require a special treatment. We consider an initial molecular bound state described by multicenter spherical or cartesian Gaussian fu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::887f8af7f0ec205009faaf3df2d5c701
https://doi.org/10.1016/bs.aiq.2021.05.006
https://doi.org/10.1016/bs.aiq.2021.05.006
Publikováno v:
UVaDOC. Repositorio Documental de la Universidad de Valladolid
instname
instname
Producción Científica
For a harmonically trapped system consisting of two bosons in one spatial dimension with infinite contact repulsion (hard core bosons), we derive an expression for the onebody density matrix ρB in terms of center of mass
For a harmonically trapped system consisting of two bosons in one spatial dimension with infinite contact repulsion (hard core bosons), we derive an expression for the onebody density matrix ρB in terms of center of mass
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::073627a1697c7a94980cea4df323c1e0
https://doi.org/10.1140/epjp/s13360-021-01671-x
https://doi.org/10.1140/epjp/s13360-021-01671-x
Autor:
Paola Bolognesi, J M Randazzo, Lorenzo Avaldi, J. E. Mathis, C. Penson, Lorenzo Ugo Ancarani, G. Turri
Publikováno v:
Journal of physics. B, Atomic molecular and optical physics
54 (2021). doi:10.1088/1361-6455/abd647
info:cnr-pdr/source/autori:Bolognesi, P.; Randazzo, J. M.; Turri, G.; Mathis, J.; Penson, C.; Ancarani, L. U.; Avaldi, L./titolo:A combined experimental and theoretical study of photodouble ionization of water at 32 eV excess energy and unequal energy sharing/doi:10.1088%2F1361-6455%2Fabd647/rivista:Journal of physics. B, Atomic molecular and optical physics (Print)/anno:2021/pagina_da:/pagina_a:/intervallo_pagine:/volume:54
54 (2021). doi:10.1088/1361-6455/abd647
info:cnr-pdr/source/autori:Bolognesi, P.; Randazzo, J. M.; Turri, G.; Mathis, J.; Penson, C.; Ancarani, L. U.; Avaldi, L./titolo:A combined experimental and theoretical study of photodouble ionization of water at 32 eV excess energy and unequal energy sharing/doi:10.1088%2F1361-6455%2Fabd647/rivista:Journal of physics. B, Atomic molecular and optical physics (Print)/anno:2021/pagina_da:/pagina_a:/intervallo_pagine:/volume:54
The photodouble ionization of water at about 32 eV excess energy has been investigated both experimentally and theoretically. In an energy and angular resolved photoelectron–photoelectron coincidence experiment, the two photoelectrons in unequal en
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::41da39097802819f659f9d1889d8bf9d
https://publications.cnr.it/doc/465355
https://publications.cnr.it/doc/465355
Publikováno v:
New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes ISBN: 9780128235461
We propose and implement a spectral approach to describe continuum states of diatomic systems. The method is based on Generalized Sturmian Functions in prolate spheroidal coordinates. With the one-electron dihydrogen cation as an example, we demonstr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d975fb69ab9edfae9f0b8eacdcfba36a
https://doi.org/10.1016/bs.aiq.2021.05.002
https://doi.org/10.1016/bs.aiq.2021.05.002
Publikováno v:
Atoms
Volume 8
Issue 3
Atoms, Vol 8, Iss 40, p 40 (2020)
Volume 8
Issue 3
Atoms, Vol 8, Iss 40, p 40 (2020)
We present a theoretical analysis of a charged-particle scattering by a Coulomb potential in the presence of laser radiation. The effect of a laser field is studied using our recently developed nonperturbative parabolic quasi-Sturmian approach for so
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c4e9dee760e9f3f762cf8f230805034d
Publikováno v:
The European Physical Journal Plus. 135
A computational method in parabolic coordinates is proposed to treat the scattering of a charged particle from both spherically and axially symmetric Coulomb-like potentials. Specifically, the long-range part of the Hamiltonian is represented in para
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::28e1f7b1593ccd8fd89fd3c574efc223
https://doi.org/10.1140/epjp/s13360-020-00665-5
https://doi.org/10.1140/epjp/s13360-020-00665-5
Publikováno v:
Journal of Computational Chemistry
Journal of Computational Chemistry, Wiley, 2020, 41 (27), pp.2365-2377. ⟨10.1002/jcc.26396⟩
Journal of Computational Chemistry, Wiley, 2020, 41 (27), pp.2365-2377. ⟨10.1002/jcc.26396⟩
We implement a full nonlinear optimization method to fit continuum states with complex Gaussians. The application to a set of regular scattering Coulomb functions allows us to validate the numerical feasibility, to explore the range of convergence of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::501fa5cfd7f3d8f19348eb5119f06039
https://pubmed.ncbi.nlm.nih.gov/32822517
https://pubmed.ncbi.nlm.nih.gov/32822517
Autor:
Lorenzo Avaldi, Lorenzo Ugo Ancarani, G. Turri, Paola Bolognesi, J. M. Randazzo, J. E. Mathis
Publikováno v:
Physical review, A Print 101 (2020). doi:10.1103/PhysRevA.101.033407
info:cnr-pdr/source/autori:Randazzo, J. M.; Turri, G.; Bolognesi, P.; Mathis, J.; Ancarani, L. U.; Avaldi, L./titolo:Photo-double-ionization of water at 20 eV above threshold/doi:10.1103%2FPhysRevA.101.033407/rivista:Physical review, A Print/anno:2020/pagina_da:/pagina_a:/intervallo_pagine:/volume:101
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
info:cnr-pdr/source/autori:Randazzo, J. M.; Turri, G.; Bolognesi, P.; Mathis, J.; Ancarani, L. U.; Avaldi, L./titolo:Photo-double-ionization of water at 20 eV above threshold/doi:10.1103%2FPhysRevA.101.033407/rivista:Physical review, A Print/anno:2020/pagina_da:/pagina_a:/intervallo_pagine:/volume:101
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
The photodouble ionization of the water molecule is studied at 20 eV excess energy in a combined experimental and theoretical investigation. In the experiments, two photoelectrons of equal kinetic energy are detected in coincidence after energy and a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a159a56ace07d5120389d4a05d3d63af