相关论文: Multiconfigurational quantum chemistry: The CASPT2…
The computation of excited states within the Complete Active Space Self-Consistent Field (CASSCF) framework remains a significant challenge in quantum chemistry, both theoretically and algorithmically. In this work, we extend the K\"ahler…
In this paper we consider the possibility of application of the quantum inverse scattering method for studying the superconformal field theory and it's integrable perturbations. The classical limit of the considered constructions is based…
The combination of configuration interaction and many-body perturbation theory methods (CI+MBPT) is extended to non-perturbatively include configurations with electron holes below the designated Fermi level, allowing us to treat systems…
An approximation method which combines the perturbation theory with the variational calculation is constructed for quantum mechanical problems. Using the anharmonic oscillator and the He atom as examples, we show that the present method…
The purpose of these lectures is to give an accessible and self contained introduction to quantum scattering theory in one dimension. Part A defines the theoretical playground, and develops basic concepts of scattering theory in the time…
We introduce perturbation and coupled-cluster theories based on a cluster mean-field reference for describing the ground state of strongly-correlated spin systems. In cluster mean-field, the ground state wavefunction is written as a simple…
Predicting the long-lasting quasistationary state for a given initial state is one of central issues in Hamiltonian systems having long-range interaction. A recently proposed method is based on the Vlasov description and uniformly…
We introduce MTT, a dependent type theory which supports multiple modalities. MTT is parametrized by a mode theory which specifies a collection of modes, modalities, and transformations between them. We show that different choices of mode…
The cluster perturbation theory (CPT) is one of the simplest but systematic quantum cluster approaches to lattice models of strongly correlated electrons with local interactions. By treating the inter-cluster potential, in addition to the…
For many years coherent states have been a useful tool for understanding fundamental questions in quantum mechanics. Recently, there has been work on developing a consistent way of including constraints into the phase space path integral…
We present the formulation and implementation of an analytical gradient algorithm for extended multiconfiguration quasidegenerate perturbation theory (XMCQDPT2) with the resolvent-fitting approximation by Granovsky. This algorithm is…
A self-contained pedagogical introduction to the functional Schr\"{o}dinger picture method of many-body theory is given at a level suitable for graduate students and also for many-body physicists who have not been exposed to the functional…
Standard one-way quantum computers (1WQC) combine time symmetric unitary evolution, with asymmetric treatment of boundaries: state preparation allows to enforce a chosen initial state, however, for the final state measurement chooses a…
The efficient initialization of a quantum system is a prerequisite for quantum technological applications. Here we show that several classes of quantum states of a harmonic oscillator can be efficiently prepared by means of a…
Computing excited states of many-body quantum Hamiltonians is a fundamental challenge in computational physics and chemistry, with state-of-the-art methods broadly classified into variational (critical point search) and linear response…
The quantum-mechanical state vector is not directly observable even though it is the fundamental variable that appears in Schrodinger's equation. In conventional time-dependent perturbation theory, the state vector must be calculated before…
In this Colloquium, the wavefunction-based Multiconfigurational Time-Dependent Hartree approaches to the dynamics of indistinguishable particles (MCTDH-F for Fermions and MCTDH-B for Bosons) are reviewed. MCTDH-B and MCTDH-F or, together,…
James' effective Hamiltonian method has been extensively adopted to investigate largely detuned interacting quantum systems. This method is just corresponding to the second-order perturbation theory, and cannot be exploited to treat the…
We propose a method to construct the ground state $\psi(\lambda)$ of local lattice hamiltonians with the generic form $H_0 + \lambda H_1$, where $\lambda$ is a coupling constant and $H_0$ is a hamiltonian with a non degenerate ground state…
An exact time-dependent solution for the wave function $\psi(r,t)$ of a particle moving in the presence of an asymmetric rectangular well/barrier potential varying in one dimension is obtained by applying a novel for this problem approach…