相关论文: Implementation of gauge-invariant time-dependent c…

New local gauge-invariant models of interacting fields with spins 3, 1 and 0 are found. The construction of the models is completely based on the new approach to the deformation problem proposed in our papers (Buchbinder and Lavrov in JHEP…

We present a new implementation of the hybrid antisymmetrized Coupled Channels (haCC) method in the framework of the tRecX [A. Scrinzi, Comp. Phys. Comm., 270:108146, 2022.]. The method represents atomic and molecular multi-electron…

Variational symplectic algorithms have recently been developed for carrying out long-time simulation of charged particles in magnetic fields. As a direct consequence of their derivation from a discrete variational principle, these…

This paper explores a mathematical technique for deriving dynamical invariants (i.e. constants of motion) in time-dependent gravitational potentials. The method relies on the construction of a canonical transformation that removes the…

In this work, we present the first derivation and implementation of analytic gradient methods for the computation of the atomic axial tensors (AATs) required for simulations of vibrational circular dichroism (VCD) spectra using…

We propose a method for the determination of the interaction potential of Rydberg atoms. Specifically, we consider a laser-driven Rydberg gas confined in a one-dimensional lattice and demonstrate that the Rydberg atom number after a laser…

We present a tensor formulation for free compact electrodynamics in three Euclidean dimensions and use this formulation to construct a quantum Hamiltonian in the continuous-time limit. Gauge-invariance is maintained at every step and the…

This article is motivated by studying the interaction of magnetic moments in high entropy alloys (HEAs), which plays an important role in guiding HEA designs in materials science. While first principles simulations can capture magnetic…

We present the extension of the time-dependent configuration interaction singles (TDCIS) method to the computation of the electron kinetic-energy spectrum in photoionization processes. Especially for strong and long ionizing light pulses…

We describe the time-dependent restricted-active-space self-consistent-field (TD-RASSCF) method for a system of interacting bosons. We provide the theory of the method and discuss its numerical implementation. The method provides a general…

We describe in detail a full configuration interaction (CI) method designed to analyze systems of quantum dots. This method is capable of exploring large regions of parameter space, like more approximate approaches such as Heitler London…

The finite-temperature effective potential customarily employed to describe the physics of cosmological phase transitions often relies on specific gauge choices, and is manifestly not gauge-invariant at finite order in its perturbative…

The time-dependent equation-of-motion coupled cluster (TD-EOM-CC) and time-dependent coupled cluster (TDCC) methods are compared by simulating Rabi oscillations for different numbers of non-interacting atoms in a classical electromagnetic…

We present the design of a ring exchange interaction in cold atomic gases subjected to an optical lattice using well understood tools for manipulating and controlling such gases. The strength of this interaction can be tuned independently…

Gauge field theories play a central role in modern physics and are at the heart of the Standard Model of elementary particles and interactions. Despite significant progress in applying classical computational techniques to simulate gauge…

The generalized time-dependent generator coordinate method (TD-GCM) is extended to include pairing correlations. The correlated GCM nuclear wave function is expressed in terms of time-dependent generator states and weight functions. The…

Quantum dynamics simulations (QDSs) are one of the most highly anticipated applications of quantum computing. Quantum circuit depth for implementing Hamiltonian simulation algorithms is commonly time dependent so that long time dynamics…

Discrete time crystals (DTCs) have emerged as novel nonequilibrium phases of matter that spontaneously break discrete time-translation symmetry in periodically driven systems. Rigorous experimental validation of DTCs, which requires highly…

The computation of the nuclear quantum dynamics of molecules is challenging, requiring both accuracy and efficiency to be applicable to systems of interest. Recently, theories have been developed for employing time-dependent basis functions…

The time-dependent variational principle is used to optimize the linear and nonlinear parameters of Gaussian basis functions to solve the time-dependent Schrodinger equation in 1 and 3 dimensions for a one-body soft Coulomb potential in a…