Related papers: Semiclassical dynamics in the mixed quantum-classi…
The Mixed Quantum-Classical Initial Value Representation (MQC-IVR) is a recently introduced approximate semiclassical (SC) method for the calculation of real-time quantum correlation functions. MQC-IVR employs a modified Filinov filtration…
Mixed Quantum Classical (MQC)-IVR is a recently introduced semiclassical framework that allows for selective quantization of the modes of a complex system. In the quantum limit, MQC reproduces the semiclassical Double Herman-Kluk IVR…
We extend the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), a semiclassical method for computing real-time correlation functions, to electronically nonadiabatic systems using the Meyer-Miller-Stock-Thoss (MMST) Hamiltonian…
The coherent-state initial-value representation (IVR) for the semi-classical real-time propagator of a quantum system, developed by Herman and Kluk (HK), is widely used in computational studies of chemical dynamics. On the other hand, the…
Semiclassical approximations for quantum dynamic simulations in complex chemical systems range from rigorously accurate methods that are computationally expensive to methods that exhibit near-classical scaling with system size but are…
Based on the integral representation of the semiclassical propagator of Herman and Kluk (HK), and in the limit of high temperatures, we formulate a hybrid expression for the correlation function of infrared spectroscopy. This is achieved by…
Quantized systems whose underlying classical dynamics possess an elaborate mixture of regular and chaotic motion can exhibit rather subtle long-time quantum transport phenomena. In a short wavelength regime where semiclassical theories are…
We develop a general theoretical framework of semiclassical phase reduction for analyzing synchronization of quantum limit-cycle oscillators. The dynamics of quantum dissipative systems exhibiting limit-cycle oscillations are reduced to a…
We study the anharmonic double well in quantum mechanics using exact Wentzel-Kramers-Brillouin (WKB) methods in a 't Hooft-like double scaling limit where classical behavior is expected to dominate. We compute the tunneling action in this…
In this work we introduce a distorted wave method, based on the Initial Value Representation (IVR) approach of the quantum evolution operator, in order to improve the semiclassical description of rainbow effects in diffraction patterns…
Recent experimental progress using ultracold gases in optical lattices necessitates a quantitative theoretical description for a significant number of bosons. In the present paper, we investigate if time-dependent semiclassical initial…
Quantum algorithms for simulating large and complex molecular systems are still in their infancy, and surpassing state-of-the-art classical techniques remains an ever-receding goal post. A promising avenue of inquiry in the meanwhile is to…
The use of mid-circuit measurement and qubit reset within quantum programs has been introduced recently and several applications demonstrated that perform conditional branching based on these measurements. In this work, we go a step further…
We test the ability of semiclassical theory to describe quantitatively the revival of quantum wavepackets --a long time phenomena-- in the one dimensional quartic oscillator (a Kerr type Hamiltonian). Two semiclassical theories are…
Using phase-space complexification, an Initial Value Representation (IVR) for the semiclassical propagator in position space is obtained as a composition of inverse Segal-Bargmann (S-B) transforms of the semiclassical coherent state…
We develop a semiclassical framework for studying quantum particles constrained to curved surfaces using the momentous quantum mechanics formalism, which extends classical phase-space to include quantum fluctuation variables (moments). In a…
Semiclassical calculations using the Herman-Kluk initial value treatment are performed to determine energy eigenvalues of bound and resonance states of the collinear helium atom. Both the $eZe$ configuration (where the classical motion is…
A method for carrying out semiclassical initial value representation calculations using first-principles molecular dynamics (FP-SC-IVR) is presented. This method can extract the full vibrational power spectrum of carbon dioxide from a…
We study the quantum simulation of mixed quantum-semiclassical (MQS) systems, of fundamental interest in many areas of physics, such as molecular scattering and gravitational backreaction. A basic question for these systems is whether…
We present a mixed quantum-classical approach to strong-field ionization - a semiclassical two-step model with quantum input. In this model the initial conditions for classical trajectories that simulate electron wave packet after…