Related papers: Geminal wavefunction models in chemistry
We report the three main ingredients to calculate three- and four-electron integrals over Gaussian basis functions involving Gaussian geminal operators: fundamental integrals, upper bounds, and recurrence relations. In particular, we…
In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant…
Recent progresses using state-of-the-art experimental techniques have motivated a number of new insights on heavy fermion physics. This article gives a brief summary of the author's research along this direction. We discuss five major…
We present a fast method for obtaining fully analytical approximations for gravitational waveforms produced by merging of neutron stars and/or black holes for the earliest stages of the merger process. The obtained analytical formula is…
Hybrid dynamic systems have recently gained interests with respect to both fundamental physics and device applications, particularly with their potential for coherent information processing. In this perspective, we will focus on the recent…
Coupling between molecules and vacuum photon fields inside an optical cavity has proven to be an effective way to engineer molecular properties, in particular reactivity. To ease the rationalization of cavity induced effects we introduce an…
We present new techniqes for evolving binary black hole systems which allow the accurate determination of gravitational waveforms directly from the wave zone region of the numerical simulations. Rather than excising the black hole…
Gravitational wave searches rely on a combination of methods, including matched filtering, coherent analyses, and more recent machine learning based pipelines. For compact binary coalescences, where signals originate from the relativistic…
We demonstrate that a conditional wavefunction theory enables a unified and efficient treatment of the equilibrium structure and nonadiabatic dynamics of correlated electron-ion systems. The conditional decomposition of the many-body…
We deal with the reversible dynamics of coupled quantum and classical systems. Based on a recent proposal by the authors, we exploit the theory of hybrid quantum-classical wavefunctions to devise a closure model for the coupled dynamics in…
We develop a general framework for the open dynamics of an ensemble of quantum particles subject to spacetime fluctuations about the flat background. An arbitrary number of interacting bosonic and fermionic particles are considered. A…
Leveraging ab initio data at scale has enabled the development of machine learning models capable of extremely accurate and fast molecular property prediction. A central paradigm of many previous works focuses on generating predictions for…
The use of plane wave approximation in molecular orbital tomography via high-order harmonic generation has been questioned since it was proposed, owing to the fact that it ignores the essential property of the continuum wave function. To…
We present a new semiclassical technique which relies on replacing complicated classical manifold structure with simpler manifolds, which are then evaluated by the usual semiclassical rules. Under circumstances where the original manifold…
Inferring the source properties of a gravitational wave signal has traditionally been very computationally intensive and time consuming. In recent years, several techniques have been developed that can significantly reduce the computational…
The microscopic wave functions of the composite fermion theory can incorporate electron mass anisotropy by a trivial rescaling of the coordinates. These wave functions are very likely adiabatically connected to the actual wave functions of…
Variational (Rayleigh-Ritz) methods are applied to local quantum field theory. For scalar theories the wave functional is parametrized in the form of a superposition of Gaussians and the expectation value of the Hamiltonian is expressed in…
Asymmetric binary systems radiate linear momentum through gravitational waves, leading to the recoil of the merger remnant. Black-hole kicks have attracted much attention because of their astrophysical implications. However, little…
Gravitational wave astronomy has emerged as a new branch of observational astronomy, since the first detection of gravitational waves in 2015. The current number of $O(100)$ detections is expected to grow by several orders of magnitude over…
Coalescing black-hole binaries are expected to be the strongest sources of gravitational waves for ground-based interferometers as well as the space-based interferometer LISA. Recent progress in numerical relativity now makes it possible to…