A
Angel Rubio
Researcher at Max Planck Society
Publications - 1033
Citations - 61779
Angel Rubio is an academic researcher from Max Planck Society. The author has contributed to research in topics: Density functional theory & Carbon nanotube. The author has an hindex of 110, co-authored 930 publications receiving 52731 citations. Previous affiliations of Angel Rubio include University of California, Berkeley & Universidad Autónoma Metropolitana.
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Quantum paraelectric phase of SrTiO 3 from first principles
Dongbin Shin,Simone Latini,Christian Schäfer,Shunsuke A. Sato,Shunsuke A. Sato,Umberto De Giovannini,Umberto De Giovannini,Hannes Hübener,Angel Rubio,Angel Rubio +9 more
TL;DR: In this article, the quantum paraelectric ground state of the lattice was accessed via a microscopic ab initio approach based on density functional theory, and it was shown that at low temperature the quantum fluctuations are strong enough to stabilize the ground state even though a classical description would predict a ferroelectric phase.
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Electronic Non-adiabatic Dynamics in Enhanced Ionization of Isotopologues of H$_2^+$ from the Exact Factorization Perspective
TL;DR: In this paper, the exact potential of the electron's dynamics in enhanced ionization of isotopologues of H$_2^+$ in order to investigate nuclear-mass dependence of these terms for this process was investigated.
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Quasi-particle energy spectra in local reduced density matrix functional theory.
TL;DR: Lathiotakis et al. as mentioned in this paper applied local reduced density matrix functional theory (local RDMFT) to predict single-particle Hamiltonian properties from the eigenvalue spectrum of the single particle Hamiltonian with a local effective potential.
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Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
TL;DR: In this article, an ab initio correlated approach to study molecules that interact strongly with quantum fields in an optical cavity is presented, where quantum electrodynamics coupled cluster theory provides a nonperturbative description of cavity-induced effects in ground and excited states.
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Ab initio study of the dielectric response of crystalline ropes of metallic single-walled carbon nanotubes: Tube-diameter and helicity effects
TL;DR: In this paper, the dielectric response functions of crystalline ropes of metallic single-walled carbon nanotubes were determined from time-dependent density-functional theory in the random-phase approximation.