A new version of fermion coupled coherent states method: Theory and applications in simulation of two-electron systems

Eidi, Mohammadreza; Niknam, A. R.; Morshedian, Nader

doi:10.1016/j.cplett.2016.04.054

Cited by 5 publications

(32 citation statements)

References 42 publications

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“…For two-electron systems, as the system is fermionic, the CSs grid should be constructed in such a way that the total wave function of the system becomes anti-symmetric [29,31,32]. For example, in the ground state of a two-electron system, as the spin wave function is anti-symmetric, the spatial wave function should be symmetric.…”

Section: Theorymentioning

confidence: 99%

“…The first version of the FCCS method, which was introduced by Shalashilin et al, uses a Slater determinant to symmetrize the CCS equations [29]. The second version of the FCCS method, introduced by Eidi et al [31,32], simplifies the process by (anti)symmetrizing the CSs grid, with all the governing equations the same as for the CCS method. However, the CCS method and its derivatives are essentially trajectory-guided.…”

Section: Introductionmentioning

confidence: 99%

“…The CCS method was originally developed to simulate systems with distinguishable particles. For simulating fermionic systems, two different versions of a fermion coupled coherent state (FCCS) method were introduced [29,31,32]. The first version of the FCCS method, which was introduced by Shalashilin et al, uses a Slater determinant to symmetrize the CCS equations [29].…”

Section: Introductionmentioning

confidence: 99%

“…In the SCS method, in contrast to the CCS method and other older methods that use an evolving gird of CSs [33][34][35][36], the CSs grid remains constant throughout the imaginary and real-time simulations. To simulate two-electron systems, the SCS method uses the same algorithm used in FCCS-II for symmetrizing the CSs grid [31,32].…”

Section: Introductionmentioning

confidence: 99%

“…During the last two decades, a number of approaches have been developed to solve the TDSE for high-dimensional quantum systems in the presence of an ultra-short intense laser field on the basis of coherent states (CSs) and to investigate related phenomena [27][28][29][30][31][32]. CSs have many advantageous features.…”

Section: Introductionmentioning

confidence: 99%

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Static Coherent States Method: One- and Two-Electron Laser-Induced Systems with Classical Nuclear Dynamics

2018

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Featured Application: We present a new computational method that can be used to investigate the quantum dynamics of one-or two-electron systems during interaction with an ultrashort laser pulse, including nuclear dynamics. The inclusion of both electronic and nuclear degrees of freedom allows for a description of a wide range of processes, including charge migration during the nuclear dissociation process. Abstract:In this report, we introduce the static coherent states (SCS) method for investigating quantum electron dynamics in a one-or two-electron laser-induced system. The SCS method solves the time-dependent Schrödinger equation (TDSE) both in imaginary and real times on the basis of a static grid of coherent states (CSs). Moreover, we consider classical dynamics for the nuclei by solving their Newtonian equations of motion. By implementing classical nuclear dynamics, we compute the electronic-state potential energy curves of H + 2 in the absence and presence of an ultra-short intense laser field. We used this method to investigate charge migration in H + 2 . In particular, we found that the charge migration time increased exponentially with inter-nuclear distance. We also observed substantial charge localization for sufficiently long molecular bonds.

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Section: Theorymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Static Coherent States Method: One- and Two-Electron Laser-Induced Systems with Classical Nuclear Dynamics

2018

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Complementary version of fermion coupled coherent states method and gram–schmidt algorithm: Theory and applications for electronic states of and

2017

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In our previous report, we introduced a new version of Fermion coupled coherent states method (FCCS) which was especially suited for simulating the first symmetric spatial electronic state of two-electron systems. In this manuscript, we report a complementary version for FCCS method to simulate both of the first symmetric and antisymmetric spatial electronic states of two-electron systems. Moreover, the Gram-Schmidt orthogonalization process is employed to reach the excited states of the system. We apply this FCCS method and the original coupled coherent state method to simulate the energy of different electronic states of H2 and H2+, respectively. The results for the energy of computed electronic states of H2 and H2+ show a pretty good consistency with the exact values. © 2017 Wiley Periodicals, Inc.

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High‐order harmonic generation by static coherent states method in single‐electron atomic and molecular systems

et al. 2021

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We solve the time-dependent Schrodinger equation using the coherent states as basis sets for computing high harmonic generation (HHG) in a full-dimensional singleelectron "realistic" system. We apply the static coherent states (SCS) method to investigate HHG in the hydrogen molecular ion induced by a linearly polarized laser field. We show that SCS gives reasonable agreement compared to the three dimensional unitary split-operator approach. Next, we study isolated attosecond pulse gen-To do so, we employ the well-known polarization gating technique, which combines two delayed counter-rotating circular laser pulses, and opens up a gate at the central portion of the superposed pulse. Our results suggest that the SCS method can be used for full-dimensional quantum simulation of higher dimensional systems such as the hydrogen molecule in the presence of an external laser field.

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A new version of fermion coupled coherent states method: Theory and applications in simulation of two-electron systems

Cited by 5 publications

References 42 publications

Static Coherent States Method: One- and Two-Electron Laser-Induced Systems with Classical Nuclear Dynamics

Static Coherent States Method: One- and Two-Electron Laser-Induced Systems with Classical Nuclear Dynamics

Complementary version of fermion coupled coherent states method and gram–schmidt algorithm: Theory and applications for electronic states of and

High‐order harmonic generation by static coherent states method in single‐electron atomic and molecular systems

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