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If one-electron observables of a many-electron system are of interest, a many-electron dynamics can be represented exactly by a one-electron dynamics with effective potentials. The formalism for this reduction is provided by the Exact…

Chemical Physics · Physics 2021-01-04 Jakub Kocák , Axel Schild

Nonadiabatic quantum interferences emerge whenever nuclear wavefunctions in different electronic states meet and interact in a nonadiabatic region. In this work, we analyze how nonadiabatic quantum interferences translate in the context of…

Chemical Physics · Physics 2016-08-03 Basile F. E. Curchod , Federica Agostini , E. K. U. Gross

By expressing the Schr\"odinger wave function in the form $\psi=Re^{iS/\hbar}$, where $R$ and $S$ are real functions, we have shown that the expectation value of $S$ is conserved. The amplitude of the wave ($R$) is found to satisfy the…

Quantum Physics · Physics 2018-10-09 A. I. Arbab

Hard exclusive processes, such as deep electroproduction of photons and mesons off nuclear targets, could give access, in the coherent channel, to nuclear generalized parton distributions (GPDs). Here, a realistic microscopic calculation of…

Nuclear Theory · Physics 2017-08-23 S. Scopetta

We present a novel perspective on gravity-induced wave function reduction using Bohmian trajectories. This study examines the quantum motion of both point particles and objects, identifying critical parameters for the transition from…

Quantum Physics · Physics 2026-05-26 Faramarz Rahmani

Bohmian trajectories have been used for various purposes, including the numerical simulation of the time-dependent Schroedinger equation and the visualization of time-dependent wave functions. We review the purpose they were invented for:…

Quantum Physics · Physics 2009-12-15 Sheldon Goldstein , Roderich Tumulka , Nino Zanghi

The recently developed exact factorization approach condenses all electronic effects on the nuclear subsystem into scalar and vector potentials that appear in an effective time dependent Schr\"{o}dinger equation. Starting from this…

Chemical Physics · Physics 2022-03-21 Chen Li , Ryan Requist , E. K. U. Gross

We study low-energy dynamics generated by a two-dimensional two-state Jahn-Teller Hamiltonian in the vicinity of a conical intersection using quantum wavepacket and trajectories dynamics. Recently, these dynamics were studied by comparing…

Chemical Physics · Physics 2024-02-06 Lea M. Ibele , Federica Agostini

Bohmian mechanics, widely known within the field of the quantum foundations, has been a quite useful resource for computational and interpretive purposes in a wide variety of practical problems. Here, it is used to establish a comparative…

Quantum Physics · Physics 2018-06-14 A. S. Sanz

Bohmian mechanics is an interpretation of quantum mechanics that describes the motion of quantum particles with an ensemble of deterministic trajectories. Several attempts have been made to utilize Bohmian trajectories as a computational…

Quantum Physics · Physics 2018-08-24 Tarek A. Elsayed , Klaus Mølmer , Lars Bojer Madsen

Semi-classical theories are approximations to quantum theory that treat some degrees of freedom classically and others quantum mechanically. In the usual approach, the quantum degrees of freedom are described by a wave function which…

Quantum Physics · Physics 2020-06-03 Ward Struyve

We present an implementation of a time-dependent multiconfiguration self-consistent-field (TD-MCSCF) method [R. Anzaki et al., Phys. Chem. Chem. Phys. 19, 22008 (2017)] with the full configuration interaction expansion for coupled…

Atomic Physics · Physics 2021-10-08 Yang Li , Takeshi Sato , Kenichi L. Ishikawa

We analyze the attosecond electron dynamics in hydrogen molecular ion driven by an external intense laser field using ab-initio numerical simulations of the corresponding time-dependent Schr{\"{o}}dinger equation and Bohmian trajectories.…

Chemical Physics · Physics 2015-05-20 Norio Takemoto , Andreas Becker

When a molecule dissociates, the exact Kohn-Sham (KS) and Pauli potentials may form step structures. Reproducing these steps correctly is central for the description of dissociation and charge-transfer processes in density functional theory…

Chemical Physics · Physics 2021-03-23 Jakub Kocák , Eli Kraisler , Axel Schild

Using the Runge-Gross theorem that establishes the foundation of Time-dependent Density Functional Theory (TDDFT) we prove that for a given electronic Hamiltonian, choice of initial state, and choice of fragmentation, there is a unique…

Chemical Physics · Physics 2015-06-15 Martin A. Mosquera , Daniel Jensen , Adam Wasserman

We perform a Bohmian-trajectory analysis of high-order harmonic generation (HHG), focusing on the fact that typical HHG spectra are best reproduced by the Bohmian trajectory starting at the innermost part of the core [Phys. Rev. A…

Atomic Physics · Physics 2013-12-30 J. Wu , B. B. Augstein , C. Figueira de Morisson Faria

This Review is devoted to the presentation of the exact factorization as a framework employed to study a variety of quantum-mechanical many-body problems. Since its original formulation in the 70s, the main applications of the exact…

Chemical Physics · Physics 2026-03-02 Peter Schürger , Sara Giarrusso , Federica Agostini

Following Ref. [Oriols X 2007 Phys. Rev. Lett., 98 066803], an algorithm to deal with the exchange interaction in non-separable quantum systems is presented. The algorithm can be applied to fermions or bosons and, by construction, it…

Quantum Physics · Physics 2014-08-05 A. Alarcón , S. Yaro , X. Cartoixà , X. Oriols

Bohmian mechanics is a non-relativistic quantum theory based on a particle approach. In this paper we study the Schr\"odinger equation with rapidly oscillating potential and the associated Bohmian trajectory. We prove that the corresponding…

Mathematical Physics · Physics 2024-06-19 Dandan Li , Jinqiao Duan , Li Lin , Ao Zhang

The linearized Einstein field equations provide a low-energy wave equation for the propagation of gravitational fields which may originate from a high energy source. Motivated by loop quantum gravity, we propose the polymer quantization…

General Relativity and Quantum Cosmology · Physics 2021-05-05 Angel Garcia-Chung , James B. Mertens , Saeed Rastgoo , Yaser Tavakoli , Paulo Vargas Moniz