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We propose an approximate solution of the time-dependent Schr\"odinger equation using the method of stationary states combined with a variational matrix method for finding the energies and eigenstates. We illustrate the effectiveness of the…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…
A novel unified Hamiltonian approach is proposed to solve Maxwell-Schrodinger equation for modeling the interaction between classical electromagnetic (EM) fields and particles. Based on the Hamiltonian of electromagnetics and quantum…
The solvation model proposed by Fattebert and Gygi [Journal of Computational Chemistry 23, 662 (2002)] and Scherlis et al. [Journal of Chemical Physics 124, 074103 (2006)] is reformulated, overcoming some of the numerical limitations…
Preparing quantum many-body states on classical or quantum devices is a very challenging task that requires accounting for exponentially large Hilbert spaces. Although this complexity can be managed with exponential ans\"atze (such as in…
Developing an analytical theory for atomic coherence driven by ultrashort laster pulses has proved to be challenging due to the breakdown of the rotating wave approximation (RWA). In this paper, we present an approximate, closed-form…
The eigenvalue problem of quantum many-body systems is a fundamental and challenging subject in condensed matter physics, since the dimension of the Hilbert space (and hence the required computational memory and time) grows exponentially as…
A numerical method for solving Schrodinger's equation based upon a Baker-Campbell-Hausdorff (BCH) expansion of the time evolution operator is presented herein. The technique manifestly preserves wavefunction norm, and it can be applied to…
Schr\"odinger equation belongs to the most fundamental differential equations in quantum physics. However, the exact solutions are extremely rare, and many analytical methods are applicable only to the cases with small perturbations or weak…
We introduce the time-dependent restricted active space Configuration Interaction method to solve the time-dependent Schr\"odinger equation for many-electron atoms, and particularly apply it to the treatment of photoionization processes in…
The non-relativistic energy levels of ortho-positronium are calculated in the quadrupole and octupole approximations for the interaction potential. For this purpose, the RST eigenvalue problem of angular momentum is illustratively solved…
The self-consistent quantum-electrostatic (also known as Poisson-Schr\"odinger) problem is notoriously difficult in situations where the density of states varies rapidly with energy. At low temperatures, these fluctuations make the problem…
Two examples of recent progress in applications of the Dyson-Schwinger equation (DSE) formalism are presented: (1) Strong coupling quantum electrodynamics in 4 dimensions (QED$_4$) is an often studied model, which is of interest both in its…
We recently presented a constructive solution to the N-representability problem of the two-electron reduced density matrix (2-RDM)---a systematic approach to constructing complete conditions to ensure that the 2-RDM represents a realistic…
A classical representation for quantum eigenstates of a particle bound in $\lambda z^{2m}$ $(\lambda >0, m=1,2,...)$ potentials is developed. It is represented by ensembles of classical trajectories with energy distributions that can take…
This work studies the variational quantum eigensolver algorithm, designed to determine the ground state of a quantum mechanical system by combining classical and quantum hardware. Methods of reducing the number of required qubit…
Encoding the electronic structure of molecules using 2-electron reduced density matrices (2RDMs) as opposed to many-body wave functions has been a decades-long quest as the 2RDM contains sufficient information to compute the exact molecular…
Herein, we present analytical solutions for the electronic energy eigenvalues of the hydrogen molecular ion H2+, namely the one-electron two-fixed-center problem. These are given for the homonuclear case for the countable infinity of…
We propose a hybrid quantum-classical algorithm for approximating the ground state and ground state energy of a Hamiltonian. Once the Ansatz has been decided, the quantum part of the algorithm involves the calculation of two overlap…
Recently, there has been significant progress in solving quantum many-particle problem via machine learning based on the restricted Boltzmann machine. However, it is still highly challenging to solve frustrated models via machine learning,…