Detalhe da pesquisa
1.
High-order geometric integrators for the local cubic variational Gaussian wavepacket dynamics.
J Chem Phys
; 160(4)2024 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38284658
2.
Finite-temperature vibronic spectra from the split-operator coherence thermofield dynamics.
J Chem Phys
; 160(8)2024 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38385512
3.
Safety and Efficacy of Baseline Antiplatelet Treatment in Patients Undergoing Mechanical Thrombectomy for Ischemic Stroke: Antiplatelets Before Mechanical Thrombectomy.
J Vasc Interv Radiol
; 34(9): 1502-1510.e12, 2023 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-37192724
4.
Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics.
J Phys Chem A
; 127(39): 8117-8125, 2023 Oct 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37738161
5.
Family of Gaussian wavepacket dynamics methods from the perspective of a nonlinear Schrödinger equation.
J Chem Phys
; 159(1)2023 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-37417753
6.
High-order geometric integrators for the variational Gaussian approximation.
J Chem Phys
; 159(9)2023 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-37675850
7.
How to Find Molecules with Long-lasting Charge Migration?
Chimia (Aarau)
; 77(4): 201-205, 2023 Apr 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-38047796
8.
Search for long-lasting electronic coherence using on-the-fly ab initio semiclassical dynamics.
J Chem Phys
; 156(3): 034104, 2022 Jan 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-35065579
9.
Efficient Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules.
Chimia (Aarau)
; 76(6): 575-581, 2022 Jun 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-38069728
10.
Core-Valence Attosecond Transient Absorption Spectroscopy of Polyatomic Molecules.
Phys Rev Lett
; 127(12): 123001, 2021 Sep 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34597071
11.
How important are the residual nonadiabatic couplings for an accurate simulation of nonadiabatic quantum dynamics in a quasidiabatic representation?
J Chem Phys
; 154(12): 124119, 2021 Mar 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33810696
12.
An implicit split-operator algorithm for the nonlinear time-dependent Schrödinger equation.
J Chem Phys
; 155(20): 204109, 2021 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34852494
13.
High-order geometric integrators for representation-free Ehrenfest dynamics.
J Chem Phys
; 155(12): 124104, 2021 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34598577
14.
Time-reversible and norm-conserving high-order integrators for the nonlinear time-dependent Schrödinger equation: Application to local control theory.
J Chem Phys
; 154(15): 154106, 2021 Apr 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-33887925
15.
Efficient Semiclassical Dynamics for Vibronic Spectroscopy beyond Harmonic, Condon, and Zero-Temperature Approximations.
Chimia (Aarau)
; 75(4): 261-266, 2021 Apr 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33902792
16.
On-the-Fly Ab Initio Semiclassical Evaluation of Electronic Coherences in Polyatomic Molecules Reveals a Simple Mechanism of Decoherence.
Phys Rev Lett
; 125(8): 083001, 2020 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32909765
17.
On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature.
J Chem Phys
; 153(2): 024105, 2020 Jul 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32668922
18.
Which form of the molecular Hamiltonian is the most suitable for simulating the nonadiabatic quantum dynamics at a conical intersection?
J Chem Phys
; 153(21): 211101, 2020 Dec 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33291891
19.
On-the-fly ab initio semiclassical evaluation of third-order response functions for two-dimensional electronic spectroscopy.
J Chem Phys
; 153(18): 184110, 2020 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-33187412
20.
A time-reversible integrator for the time-dependent Schrödinger equation on an adaptive grid.
J Chem Phys
; 151(23): 234102, 2019 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31864241