Related papers: Microscopic Calculation of IBM Parameters by Poten…
We describe a simple method to find the ground state energy without calculating the expectation value of the Hamiltonian in the time-evolving block decimation algorithm with tensor network states. For example, we consider quantum…
Potential energy surfaces of the hydrogen molecular ion H$_2^+$ in the Born-Oppenheimer approximation are computed by means of the Riccati-Pad\'e method (RPM). The convergence properties of the method are analyzed for different states. The…
We present a hardware-validated reference dataset for variational ground-state energy calculations of the hydrogen molecule H\(_2\) on several IBM Quantum processors available in 2026. Using a standardized workflow, we benchmark the impact…
In this paper we have derived explicitly computable bounds on the error in energy norms for the fully nonlinear Poisson-Boltzmann equation. Together with the computable bounds, we have also obtained efficient error indicators which can…
Accurate calculation of electrostatic potential and gradient on the molecular surface is highly desirable for the continuum and hybrid modeling of large scale deformation of biomolecules in solvent. In this article a new numerical method is…
Two-neutron transfer reactions are studied within the interacting boson model based on the nuclear energy density functional theory. Constrained self-consistent mean-field calculations with the Skyrme energy density functional are performed…
We propose a polynomial-time algorithm for simulation of the class of pairing Hamiltonians, e.g., the BCS Hamiltonian, on an NMR quantum computer. The algorithm adiabatically finds the low-lying spectrum in the vicinity of the gap between…
Exact numerical results of the interacting boson model Hamiltonian along the integrable line from U(5) to O(6) are obtained by diagonalization within boson seniority subspaces. The matrix Hamiltonian reduces to a block tridiagonal form…
Machine learning of multi-dimensional potential energy surfaces, from purely ab initio datasets, has seen substantial progress in the past years. Gaussian processes, a popular regression method, have been very successful at producing…
Quantum harmonic oscillators, or qumodes, provide a promising and versatile framework for quantum computing. Unlike qubits, which are limited to two discrete levels, qumodes have an infinite-dimensional Hilbert space, making them…
Ground state structures found in nature are in many cases of high symmetry. But structure prediction methods typically render only a small fraction of high symmetry structures. Especially for large crystalline unit cells there are many low…
We propose a quantum inverse iteration algorithm which can be used to estimate the ground state properties of a programmable quantum device. The method relies on the inverse power iteration technique, where the sequential application of the…
Semi-empirical mass formula of the atomic nucleus describe binding energies of the nuclei. In the simple form of this formula, there are five terms related to the properties of the nuclear structure. The coefficients in each terms can be…
We present a quantum-classical hybrid random power method that approximates a ground state of a Hamiltonian. The quantum part of our method computes a fixed number of elements of a Hamiltonian-matrix polynomial via quantum polynomial…
The simplest version of a class of toy models for QCD is presented. It is a Lipkin-type model, for the quark-antiquark sector, and, for the gluon sector, gluon pairs with spin zero are treated as elementary bosons. The model restricts to…
Simulation of materials at the atomistic level is an important tool in studying microscopic structure and processes. The atomic interactions necessary for the simulation are correctly described by Quantum Mechanics. However, the…
The interaction of Nucleon-Nucleon (NN) has certain physical characteristics, which indicated by nucleon, and meson degrees of freedom. The main purpose of this work is calculating the ground state energies of 21 Deutron and Alfa through…
The neutrinoless $\beta\beta$ ($0\nu\beta\beta$) decay nuclear matrix elements (NMEs) are calculated in the interacting boson model (IBM), which is based on the nuclear energy density functional (EDF) theory. The Hamiltonian of the IBM that…
The well-known algorithm for quantum phase estimation requires that the considered unitary is available as a conditional transformation depending on the quantum state of an ancilla register. We present an algorithm converting an unknown…
A shape phase transition between stable octupole deformation and octupole vibrations in Th nuclei is analyzed in a microscopic framework based on nuclear density functional theory. The relativistic functional DD-PC1 is used to calculate…