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Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence

The journal of physical chemistry letters, 2017-07, Vol.8 (13), p.3048-3055

2017

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Ultrafast dynamics with the exact factorization

The European physical journal. B, Condensed matter physics, 2021-09, Vol.94 (9), Article 179

2021

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Exact Single-Electron Approach to the Dynamics of Molecules in Strong Laser Fields

Physical review letters, 2017-04, Vol.118 (16), p.163202-163202, Article 163202

2017

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Exact Factorization-Based Density Functional Theory of Electrons and Nuclei

Physical review letters, 2016-11, Vol.117 (19), p.193001-193001, Article 193001

2016

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Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods

Journal of chemical theory and computation, 2016-05, Vol.12 (5), p.2127-2143

2016

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Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes

Physical review letters, 2015-08, Vol.115 (7), p.073001-073001, Article 073001

2015

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Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation?

Physical review letters, 2014-12, Vol.113 (26), p.263004-263004, Article 263004

2014

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Energy, Momentum, and Angular Momentum Transfer between Electrons and Nuclei

Physical review letters, 2022-03, Vol.128 (11), p.113001-113001, Article 113001

2022

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Combining Eliashberg Theory with Density Functional Theory for the Accurate Prediction of Superconducting Transition Temperatures and Gap Functions

Physical review letters, 2020-07, Vol.125 (5), p.1-057001, Article 057001

2020

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Laser-Induced Demagnetization at Ultrashort Time Scales: Predictions of TDDFT

Journal of chemical theory and computation, 2015-10, Vol.11 (10), p.4870-4874

2015

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Exact factorization of the time-dependent electron-nuclear wave function

Physical review letters, 2010-09, Vol.105 (12), p.123002-123002, Article 123002

2010

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Influence of rider weight, riding style and payload on the operating loads of electrically power assisted cycles (EPAC)

International journal of fatigue, 2021-08, Vol.149, p.106271, Article 106271

Groß, E.

2021

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Fock-Space Embedding Theory: Application to Strongly Correlated Topological Phases

Physical review letters, 2021-09, Vol.127 (11), p.1-116401, Article 116401

2021

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Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction

The Journal of chemical physics, 2012-12, Vol.137 (22), p.22A530-22A530

2012

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How to represent crystal structures for machine learning: Towards fast prediction of electronic properties

Physical review. B, Condensed matter and materials physics, 2014-05, Vol.89 (20), Article 205118

2014

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Quantum optimal control theory

Journal of physics. B, Atomic, molecular, and optical physics, 2007-09, Vol.40 (18), p.R175-R211

2007

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The exact forces on classical nuclei in non-adiabatic charge transfer

The Journal of chemical physics, 2015-02, Vol.142 (8), p.084303-084303

2015

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How Interatomic Steps in the Exact Kohn–Sham Potential Relate to Derivative Discontinuities of the Energy

The journal of physical chemistry letters, 2017-12, Vol.8 (24), p.5974-5980

2017

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Electronic Flux Density beyond the Born–Oppenheimer Approximation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-05, Vol.120 (19), p.3316-3325

2016

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Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF

The Journal of chemical physics, 2018-02, Vol.148 (8), p.084110-084110

2018

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Competing Spin Transfer and Dissipation at Co/Cu(001) Interfaces on Femtosecond Timescales

Physical review letters, 2019-02, Vol.122 (6), p.067202-067202, Article 067202

2019

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Spin Flips versus Spin Transport in Nonthermal Electrons Excited by Ultrashort Optical Pulses in Transition Metals

Physical review letters, 2017-09, Vol.119 (10), p.107203-107203, Article 107203

2017

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On the Mass of Atoms in Molecules: Beyond the Born-Oppenheimer Approximation

Physical review. X, 2017-08, Vol.7 (3), p.031035, Article 031035

2017

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Electronic non-adiabatic states: towards a density functional theory beyond the Born-Oppenheimer approximation

Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2014-03, Vol.372 (2011), p.20130059-20130059

2014

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The SANTÉ study at 10 years of follow‐up: Effectiveness, safety, and sudden unexpected death in epilepsy

Epilepsia (Copenhagen), 2021-06, Vol.62 (6), p.1306-1317

2021

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Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence

Ultrafast dynamics with the exact factorization

Exact Single-Electron Approach to the Dynamics of Molecules in Strong Laser Fields

Exact Factorization-Based Density Functional Theory of Electrons and Nuclei

Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods

Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes

Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation?

Energy, Momentum, and Angular Momentum Transfer between Electrons and Nuclei

Combining Eliashberg Theory with Density Functional Theory for the Accurate Prediction of Superconducting Transition Temperatures and Gap Functions

Laser-Induced Demagnetization at Ultrashort Time Scales: Predictions of TDDFT

Exact factorization of the time-dependent electron-nuclear wave function

Influence of rider weight, riding style and payload on the operating loads of electrically power assisted cycles (EPAC)

Fock-Space Embedding Theory: Application to Strongly Correlated Topological Phases

Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunction

How to represent crystal structures for machine learning: Towards fast prediction of electronic properties

Quantum optimal control theory

The exact forces on classical nuclei in non-adiabatic charge transfer

How Interatomic Steps in the Exact Kohn–Sham Potential Relate to Derivative Discontinuities of the Energy

Electronic Flux Density beyond the Born–Oppenheimer Approximation

Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF

Competing Spin Transfer and Dissipation at Co/Cu(001) Interfaces on Femtosecond Timescales

Spin Flips versus Spin Transport in Nonthermal Electrons Excited by Ultrashort Optical Pulses in Transition Metals

On the Mass of Atoms in Molecules: Beyond the Born-Oppenheimer Approximation

Electronic non-adiabatic states: towards a density functional theory beyond the Born-Oppenheimer approximation

The SANTÉ study at 10 years of follow‐up: Effectiveness, safety, and sudden unexpected death in epilepsy

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