Related papers: Quantum canonical ensemble: a projection operator …
We point out that in the context of quantum fields in time dependent classical backgrounds, the number of created particles with a given momentum largely deviates about its mean value. Since the corresponding Fourier modes are nonlocal,…
This paper discusses a classical simulation to compute the partition function (or free energy) of generic one-dimensional quantum many-body systems. Many numerical methods have previously been developed to approximately solve…
We devise a hierarchy of computational algorithms to enumerate the microstates of a system comprising N independent, distinguishable particles. An important challenge is to cope with integers that increase exponentially with system size,…
The partition function and specific heat of a system consisting of a finite number of bosons confined in an external potential are calculated in canonical ensemble. Using the grand partition function as the generating function of the…
It is shown that the wave function describing the pure state of a single-particle quantum ensemble, in addition to statistical restrictions, imposes restrictions on the particle momentum at points in the configuration space $\mathbb{R}^3$:…
The parton theory constructs candidate fractional quantum Hall states by decomposing the physical particles into unphysical partons, placing the partons in integer quantum Hall states, and then gluing the partons back into the physical…
A Hamiltonian based approach using spatially localized projection operators is introduced to give precise meaning to the chemically intuitive idea of the electronic energy on a quantum subsystem. This definition facilitates the study of…
A class of pseudo-hermitian quantum system with an explicit form of the positive-definite metric in the Hilbert space is presented. The general method involves a realization of the basic canonical commutation relations defining the quantum…
The Variational Quantum Eigensolver approach to the electronic structure problem on a quantum computer involves measurement of the Hamiltonian expectation value. Formally, quantum mechanics allows one to measure all mutually commuting or…
Quantum computers promise to revolutionise electronic simulations by overcoming the exponential scaling of many-electron problems. While electronic wave functions can be represented using a product of fermionic unitary operators, shallow…
Determination of molecular energetics and properties is one of the core challenges in the near-term quantum computing. To this end, hybrid quantum-classical algorithms are preferred for Noisy Intermediate Scale Quantum (NISQ) architectures.…
We derive an integral-free thermodynamic perturbation series expansion for quantum partition functions which enables an analytical term-by-term calculation of the series. The expansion is carried out around the partition function of the…
Observable properties of a classical physical system can be modelled deterministically as functions from the space of pure states to outcomes; dually, states can be modelled as functions from the algebra of observables to outcomes. The…
We derive an equation for the current of particles in energy space; particles are subject to a mean field effective potential that may represent quantum effects. From the assumption that non-interacting particles imply a free diffusion…
A study on a method for the establishment of a phase space representation of quantum theory is presented. The approach utilizes the properties of Gaussian distribution, the properties of Hermite polynomials, Fourier analysis and the current…
The parameters of a quantum system grow exponentially with the number of involved quantum particles. Hence, the associated memory requirement goes well beyond the limit of best classic computers for quantum systems composed of a few dozen…
The calculation of the density matrix for fermions and bosons in the Grand Canonical Ensemble allows an efficient way for the inclusion of fermionic and bosonic statistics at all temperatures. It is shown that in a Path Integral Formulation…
Structure-based virtual screening must address a combinatorial explosion arising from up to 10^60 drug-like molecules, multiple conformations of proteins and ligands, and all possible spatial translations and rotations of ligands within the…
The concept of active spaces simplifies the description of interacting quantum many-body systems by restricting to a neighbourhood of active orbitals around the Fermi level. The respective wavefunction ansatzes which involve all possible…
It has been conjectured that the Pauli exclusion principle alone may be responsible for a particular geometric arrangement of confined systems of identical fermions even when there is no interaction between them. These geometric structures,…