Related papers: High-momentum antisymmetrized molecular dynamics c…
Quantum geometrical molecular dynamics provides a quantum geometric picture for understanding reactive dynamics, especially excited-state conical intersection dynamics, and also a numerically exact method for strongly correlated…
Tensor networks establish an adaptable framework for the emulation of quantum circuits. By partitioning exponentially large registers and gates into smaller tensors, this unlocks fast transformations through tensor algebra, and grants fine…
We study the properties of the nuclear rotational excitations with hypothetical tetrahedral symmetry by employing the microscopic mean-field and residual-interaction Hamiltonians with angular-momentum and parity projection method; we focus…
$\Sigma$ is a new correlation measure, quite recently introduced to heavy-ion physics. This measure, defined in the independent source model as a strongly intensive quantity, is expected to be free of the effects of system volume and volume…
We present a detailed study of the non-linear thermoelectric properties of a molecular junction, represented by a dissipative Anderson-Holstein model. A single orbital level with strong Coulomb interaction is coupled to a localized…
This paper presents a convolution tensor decomposition based model reduction method for solving the Allen-Cahn equation. The Allen-Cahn equation is usually used to characterize phase separation or the motion of anti-phase boundaries in…
The detection of electron motion and electronic wavepacket dynamics is one of the core goals of attosecond science. Recently, choosing the nitric oxide (NO) molecule as an example, we have introduced and demonstrated a new experimental…
We present novel algorithmic solutions together with implementation details utilizing non-Abelian symmetries in order to boost the current limits of tensor network state algorithms on high performance computing infrastructure. In our…
A new method that accurately describes strongly correlated states and captures dynamical correlation is presented. It is derived as a modification of coupled-cluster theory with single and double excitations (CCSD) through consideration of…
We establish a correspondence between the electric dipole matrix elements of a polyatomic symmetric top molecule in a state with nonzero projection of the total angular momentum on the symmetry axis of the molecule and the magnetic dipole…
Recent cross section (e,e'pN) short-range correlation experiments have clearly shown the strong dominance of tensor correlations for (e,e'p) missing momenta greater than the Fermi momentum; while recent D(e,e'p)n and 4He(e,e'p)t asymmetry…
We introduce an efficient method TTN-HEOM for exactly calculating the open quantum dynamics for driven quantum systems interacting with highly structured bosonic baths by combining the tree tensor network (TTN) decomposition scheme to the…
We introduce a general numerical method to compute dynamics and multi-time correlations of chains of quantum systems, where each system may couple strongly to a structured environment. The method combines the process tensor formalism for…
We study the Li isotopes systematically in terms of the tensor-optimized shell model (TOSM) by using a bare nucleon-nucleon interaction as the AV8' interaction. The short-range correlation is treated in the unitary correlation operator…
We show that for any liquid or solid with strong correlation between its $NVT$ virial and potential-energy equilibrium fluctuations, the temperature is a product of a function of excess entropy per particle and a function of density,…
The Heavy Shell Model (HSM) (Y. Sun and C.-L. Wu, Phys. Rev. C 68, 024315 (2003)) was proposed to take the advantages of two existing models, the projected shell model (PSM) and the Fermion Dynamical Symmetry Model (FDSM). To construct HSM,…
We present an accelerated ``on-the-fly'' coupled-cluster path-integral molecular dynamics (PIMD) method for finite-temperature simulations in which electron correlation and nuclear quantum effects are treated simultaneously. The approach is…
Ultrafast optical techniques allow to study ultrafast molecular dynamics involving both nuclear and electronic motion.To support interpretation, theoretical approaches are needed that can describe both the nuclear and electron…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with non--symmetrical hydrogen bonds. In our approach, the masses of the hydrogen nuclei are scaled…
The hierarchical equations of motion (HEOM) method is a numerically exact open quantum system dynamics approach. The method is rooted in an exponential expansion of the bath correlation function, which in essence strategically reshapes a…