Related papers: Matrix mechanics for actual atoms and molecules
Accurate and predictive computations of the quantum-mechanical behavior of many interacting electrons in realistic atomic environments are critical for the theoretical design of materials with desired properties, and require solving the…
A double-atom partitioning of the molecular one-electron density matrix is used to describe atoms and bonds. All calculations are performed in Hilbert space. The concept of atomic weight functions (familiar from Hirshfeld analysis of the…
We study quantum mechanics of bosonic multi-matrix Lagragians in the collective field framework, with particular emphasis on three matrix models. We derive the effective Hamiltonian of the collective field and study the vacuum solution and…
In this work we report on a new bootstrap method for quantum mechanical problems that closely mirrors the setup from conformal field theory (CFT). We use the equations of motion to develop an analogue of the conformal block expansion for…
We consider a free quantum particle in one dimension whose mass profile exhibits jump discontinuities. The corresponding Hamiltonian is a self-adjoint realisation of the kinetic-energy operator, with the specific realisation determined by…
Quantum operations describe any state change allowed in quantum mechanics, including the evolution of an open system or the state change due to a measurement. In this letter we present a general method based on quantum tomography for…
We develop a model of molecular binding based on the Bohr-Sommerfeld description of atoms together with a constraint taken from conventional quantum mechanics. The model can describe the binding energy curves of H2, H3 and other molecules…
Machine-learning electronic Hamiltonians achieve orders-of-magnitude speedups over density-functional theory, yet current models omit long-range Coulomb interactions that govern physics in polar crystals and heterostructures. We derive…
On the grounds of a Feynman-Kac--type formula for Hamiltonian lattice systems we derive analytical expressions for the matrix elements of the evolution operator. These expressions are valid at long times when a central limit theorem…
We explore a technique for probing energy spectra in synthetic lattices that is analogous to scanning tunneling microscopy. Using one-dimensional synthetic lattices of coupled atomic momentum states, we explore this spectroscopic technique…
We develop the continuum mechanics of quantum many-body systems in the linear response regime. The basic variable of the theory is the displacement field, for which we derive a closed equation of motion under the assumption that the…
We introduce a random matrix framework for studying statistical-mechanical lattice systems through spectral observables. Equilibrium configurations sampled from a Boltzmann measure are mapped to matrix ensembles whose covariance structure…
We prove that every injective Matrix Product State is the unique ground state of a simple hopping theory. We start by studying the low energy spectrum of parent Hamiltonians of injective Matrix Product States in a particular long range and…
The lattice field theory approach to the statistical mechanics of a classical Coulomb gas [R. Coalson and A. Duncan, J. Chem. Phys. 97,5653(1992)] is generalized to include charged polymer chains. Saddle-point analysis is done on the…
We present a theory for the dynamical evolution of a quantum system coupled to a complex many-body intrinsic system/environment. By modelling the intrinsic many-body system with parametric random matrices, we study the types of effective…
We investigate a quantum many-body system with particles moving on a circle and subject to two-body and three-body potentials. In this new class of models, that extrapolates from the celebrated Calogero-Sutherland model and a system with…
Complete characterization of states and processes that occur within quantum devices is crucial for understanding and testing their potential to outperform classical technologies for communications and computing. However, solving this task…
We give a detailed account of an $\it{ab}$ $\it{initio}$ spectral approach for the calculation of energy spectra of two active electron atoms in a system of hyperspherical coordinates. In this system of coordinates, the Hamiltonian has the…
Bound state properties of few single and double-$\Lambda$ hypernuclei is critically examined in the framework of core-$\Lambda$ and core+$\Lambda+\Lambda$ few-body model applying hyperspherical harmonics expansion method (HHEM). The…
We introduce machine learning models of quantum mechanical observables of atoms in molecules. Instant out-of-sample predictions for proton and carbon nuclear chemical shifts, atomic core level excitations, and forces on atoms reach…