Related papers: Constrained correlated-Gaussians for hyperspherica…
We present a new quantum adiabatic theorem that allows one to rigorously bound the adiabatic timescale for a variety of systems, including those described by unbounded Hamiltonians. Our bound is geared towards the qubit approximation of…
Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as…
We provide a method for analytically constructing high-accuracy templates for the gravitational wave signals emitted by compact binaries moving in inspiralling eccentric orbits. By contrast to the simpler problem of modeling the…
We consider slowly evolving, i.e. ADIABATIC, operational regime within a transmission level (continental scale) natural gas pipeline system. This allows us to introduce a set of nodal equations of reduced complexity describing gas…
We revisit the complex time method for the application to quantum dynamics as an exceptional point is encircled in the parameter space of the Hamiltonian. The basic idea of the complex time method is using complex contour integration to…
We study the $2e^-2e^+$ equal-mass charge-neutral four-body system in the adiabatic hyperspherical framework. The lowest few adiabatic potentials are calculated for zero orbital angular momentum, positive parity, and charge conjugation…
An analysis of the characteristic function of Gaussian quadratic forms is presented in [1] to study the performance of multichannel communication systems. This technical report reviews this analysis, obtaining alternative expressions to…
For a theoretical understanding of the reactivity of complex chemical systems, relative energies of stationary points on potential energy hypersurfaces need to be calculated to high accuracy. Due to the large number of intermediates present…
We present a self-contained theoretical and computational framework for dynamics following photoexcitation in quantum dots near planar interfaces. A microscopic Hamiltonian parameterized by first principles calculations is merged with a…
When electron correlations are important it is often necessary to use numerical methods to solve the Hamiltonian for a finite system (cluster) "exactly". Unfortunately, such methods are restricted to small systems. We propose to combine the…
The discrete formulation of adiabatic quantum computing is compared with other search methods, classical and quantum, for random satisfiability (SAT) problems. With the number of steps growing only as the cube of the number of variables,…
Let $H(t)=(1-t/T)H_0 + (t/T)H_1$, $t\in [0,T]$, be the Hamiltonian governing an adiabatic quantum algorithm, where $H_0$ is diagonal in the Hadamard basis and $H_1$ is diagonal in the computational basis. We prove that $H_0$ and $H_1$ must…
A quantum Monte Carlo method of determining Jastrow-Slater wave functions for which the energy is stationary with respect to variations in the single-particle orbitals is presented. A potential is determined by a least-squares fitting of…
We consider the problem of constrained motion along a conic path under a given external potential function. The model is described as a second-class system capturing the behavior of a certain class of specific quantum field theories. By…
In this paper we fill the gap in previous works by proving the formula for entanglement-assisted capacity of quantum channel with additive constraint (such as bosonic Gaussian channel). The main tools are the coding theorem for…
We demonstrate how to determine numerically nearly exact orthonormal orbitals that are optimal for evaluation of the energy of arbitrary (correlated) states of atoms and molecules by minimization of the energy Lagrangian. Orbitals are…
The dynamical systems invariant under gauge transformations with higher order time derivatives of the gauge parameter are considered from the Hamiltonian point of view. We investigate the consequences of the basic requirements that the…
A one-electron Schroedinger equation based on special one-electron potentials for atoms is shown to exist that produces orbitals for an arbitrary molecule that are sufficiently accurate to be used without modification to construct single-…
Adiabatic transformation can be approximated as alternating unitary operators of a Hamiltonian and its parameter derivative as proposed in a gate-based approach to counterdiabatic driving (van Vreumingen, arXiv:2406.08064). In this paper,…
Classical polarizable approaches have become the gold standard for simulating complex systems and processes in the condensed phase. These methods describe intrinsically dissipative polarizable media, requiring a formal definition within the…