Related papers: Seniority-zero Linear Canonical Transformation The…
We propose a method to solve the Schr\"odinger equation for systems with static/strong electron correlation using Hamiltonian transformations. Building on our previous work on seniority-zero canonical transformation theory, which seeks a…
We show how to add the effects of residual electron correlation to a reference seniority-zero wavefunction by making a unitary transformation of the true electronic Hamiltonian into seniority-zero form. The transformation is treated via the…
Seniority is a useful way of organizing Hilbert space for strongly correlated systems. The exact zero-seniority wave function, doubly-occupied configuration interaction (DOCI), provides accurate results (given the right orbitals) for many…
Zero-seniority methods have shown great promise for the description of strongly-correlated electronic systems. Other seniority sectors have been much less explored, and in particular the maximal seniority sector and zero seniority have the…
Linear Canonical Transformations (LCTs) are known in signal processing and optics as the generalization of certain useful integral transforms. In quantum theory, they can be identified as the linear transformations which keep invariant the…
Quantum simulations of electronic structure with a transformed Hamiltonian that includes some electron correlation effects are demonstrated. The transcorrelated Hamiltonian used in this work is efficiently constructed classically, at…
Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schr\"odinger equation are at the heart of computational materials science. In that respect the coupled cluster hierarchy of methods plays a…
The method previously used to solve Schr\"odinger equation by a unitary transformation for a electron under the influence of a constant magnetic field is used to obtain a non-free Landau electron wave function. The physical meaning of this…
We investigate two methods of constructing a solution of the Schr\"{o}dinger equation from the canonical transformation in classical mechanics. One method shows that we can formulate the solution of the Schr\"{o}dinger equation from linear…
Linear response theory and Green's functions provide a universal framework for understanding dynamical correlations in strongly correlated open quantum systems. While the theoretical foundation for non-Hermitian linear response has been…
The Schrieffer-Wolff transformation aims to solve degenerate perturbation problems and give an effective Hamiltonian that describes the low-energy dynamics of the exact Hamiltonian in the low-energy subspace of unperturbed Hamiltonian. This…
Hamiltonian simulation is a fundamental algorithm in quantum computing that has attracted considerable interest owing to its potential to efficiently solve the governing equations of large-scale classical systems. Exponential speedup…
Recent breakthroughs have opened the possibility to intermediate-scale quantum computing with tens to hundreds of qubits, and shown the potential for solving classical challenging problems, such as in chemistry and condensed matter physics.…
We show that, by means of a right-unitary transformation, the fully quantized Landau-Zener Hamiltonian in the weak-coupling regime may be solved by using known solutions from the standard Landau-Zener problem. In the strong-coupling regime,…
A global solution of the Schr\"odinger equation for explicitly time-dependent Hamiltonians is derived by integrating the non-linear differential equation associated with the time-dependent wave operator. A fast iterative solution method is…
We develop a biorthogonal linear-scaling algorithm for a transcorrelated method based on the localized nature of transformed orbitals. The transcorrelated method, which employs a similarity-transformed Hamiltonian referred to as a…
The linearity inherent in quantum mechanics limits current quantum hardware from directly solving nonlinear systems governed by nonlinear differential equations. One can opt for linearization frameworks such as Carleman linearization, which…
We discuss the construction of low-energy tight-binding Hamiltonians for condensed matter systems with a strong coupling to the quantum electromagnetic field. Such Hamiltonians can be obtained by projecting the continuum theory on a given…
We investigate how the Unitary Correlation Operator Method (UCOM), developed to explicitly describe the strong short-range central and tensor correlations present in the nuclear many-body system, relates to the Similarity Renormalization…
We introduce a novel class of coupled cluster (CC) methods that leverage the seniority concept to enhance efficiency and accuracy in electronic structure calculations. While existing approaches, such as the pair coupled cluster doubles…