Related papers: Nonadiabatic effects in attosecond transient absor…
Nonadiabatic dressed states of a quantum system interacting with an external electromagnetic field and the environment are presented. The relevant matrix elements within the specified states are found. A closed form expression of the…
The (stationary) Schr\"{o}dinger equation for atomistic systems is solved using the adiabatic potential energy curves (PECs) and the associated adiabatic approximation. Despite being very simplistic, this approach is very powerful and used…
The interaction between nuclei and a strong zeptosecond laser pulse with coherent MeV photons is investigated theoretically. We provide a first semi-quantitative study of the quasiadiabatic regime where the photon absorption rate is…
Non-adiabatic quantum effects, often experimentally observed in semiconductors nano-devices such as single-electron pumps operating at high frequencies, can result in undesirable and uncontrollable behaviour. However, when combined with the…
With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work we calculate the…
Superionic phase transitions have attracted extensive interest for decades due to their promising applications and rich underlying physics. In particular, complicated many-body effects and nonadiabatic dynamics are believed to play…
Nonadiabatic molecular dynamics is an effective method for modeling nonradiative decay in electronically excited molecules. Its accuracy depends strongly on the quality of the potential energy surfaces, and its affordability for long…
Complex quantum systems are often multiscale in nature with strong interactions between different scales. We present a novel idea: iteratively suppressing, rather than tracing out, the fast, high-energy degrees of freedom in strongly…
Long-range Rydberg molecules are typically bound in wells formed in their oscillatory potential energy curves. In alkaline Rydberg molecules, bound vibrational states exist even when these potential wells are disrupted by level repulsion…
Avoided crossings of level pairs with opposite slopes can form potential energy curves for the external degree of freedom of quantum particles. We investigate nonadiabatic decay of metastable states on such avoided crossings (MSACs) using…
Nonadiabatic molecular dynamics simulations aim to describe the coupled electron-nuclear dynamics of molecules in excited electronic states. These simulations have been applied to understand a plethora of photochemical and photophysical…
We theoretically study nonadiabatic corrections for charge pumping in a noninteracting electron model of a single-level quantum dot. We derive a formula for the velocity limit of parameter driving to realize adiabatic pumping and illustrate…
We calculate the electron screening effect in low energy nuclear fusion reactions by taking non-adiabaticity of the tunnleing process into account. In order to investigate deviations from the adiabatic limit, we use the dynamical norm…
Real-time simulations of laser-driven electron dynamics contain information about molecular optical properties through all orders in response theory. These properties can be extracted by assuming convergence of the power series expansion of…
The adiabatic Born-Oppenheimer approximation is considered to be a robust approach that very rarely breaks down. Consequently, it is predominantly utilized to address various electron-phonon properties in condensed matter physics. By…
Electronically non-adiabatic effects play an important role in many chemical reactions. How these effects manifest in cold and ultracold chemistry remain largely unexplored. Here, through first principles non-adiabatic quantum dynamics…
We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio non-adiabatic dynamics methods. Our approach is based upon…
We revisit the topic of atomic center of mass motion of a three level atom Raman coupled strongly to an external laser field and the quantum field of a high Q optical cavity. We focus on the motion related nonadiabatic effects of the atomic…
Nonadiabtic dressed states and nonadiabatic induced dipole moment in the leading order of nonadiabaticity is proposed. The nonadiabatic induced dipole moment is studied in the femtosecond time domain.
We consider an implementation of the adiabatic spin dynamics approach in a tight-binding description of the electronic structure. The adiabatic approximation for spin-degrees of freedom assumes that the faster electronic degrees of freedom…