Related papers: Symmetry-based perturbation theory for electronic …
The multi-symplectic form for Hamiltonian PDEs leads to a general framework for geometric numerical schemes that preserve a discrete version of the conservation of symplecticity. The cases for systems or PDEs with dissipation terms has…
The exact solution of the Schrodinger equation for atoms, molecules and extended systems continues to be a "Holy Grail" problem for the field of atomic and molecular physics since inception. Recently, breakthroughs have been made in the…
A simple, general and practically exact method, Entanglement Perturbation Theory (EPT), is formulated to calculate the ground states of 2D macroscopic quantum systems with translational symmetry. An emphasis will be placed on the…
We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…
The central problem in electronic structure theory is the computation of the eigenvalues of the electronic Hamiltonian -- an unbounded, self-adjoint operator acting on a Hilbert space of antisymmetric functions. Coupled cluster (CC)…
Molecular fragment or embedding methods are powerful techniques for overcoming scalability limitations in electronic structure theory by dividing large molecular systems into individual units that are small enough to be treated using…
A method for increasing the accuracy of configuration interaction (CI) calculations of molecules and other electronic systems is proposed. The energy defect of a given calculation is associated with the electron pair origin of…
We apply high-order many-body perturbation theory for the calculation of ground-state energies of closed-shell nuclei using realistic nuclear interactions. Using a simple recursive formulation, we compute the perturbative energy…
In the framework of perturbation theory the reality of the perturbed eigenvalues of a class of $\PT$symmetric Hamiltonians is proved using stability techniques. We apply this method to $\PT$symmetric unperturbed Hamiltonians perturbed by…
Quantum computing's potential for exponential speedup is fundamentally limited by decoherence, a phenomenon arising from environmental interactions. Non-Hermitian quantum mechanics, particularly $PT$-symmetric systems, offers a novel…
We present an evaluation of some recent attempts at understanding the role of pseudo-Hermitian and PT-symmetric Hamiltonians in modeling unitary quantum systems and elaborate on a particular physical phenomenon whose discovery originated in…
We present a unitary control pulse design method for a scalable quantum computer architecture based on electron spins in lateral quantum dots. We employ simultaneous control of spin interactions and derive the functional forms of spin…
We present a time-dependent extension of logarithmic perturbation theory for nonrelativistic quantum dynamics governed by the Schr\"odinger equation, in which the logarithm of the wave function is expanded in powers of a coupling constant.…
This is one of the two papers where the optimized perturbation theory was first formulated. The other paper is published in Theor. Math. Phys. 28, 652--660 (1976). The main idea of the theory is to reorganize the perturbative sequence by…
In order to solve the A-body Schr\"odinger equation both accurately and efficiently for open-shell nuclei, a novel many-body method coined as Bogoliubov many-body perturbation theory (BMBPT) was recently formalized and applied at low…
We consider simulating quantum systems on digital quantum computers. We show that the performance of quantum simulation can be improved by simultaneously exploiting commutativity of the target Hamiltonian, sparsity of interactions, and…
A noteworthy discovery is that the minimal evolution time is smaller for parity-time ($\mathcal{PT}$) symmetric systems compared to Hermitian setups. Moreover, there is a significant acceleration of two-qubit quantum entanglement…
We introduce an algorithm that can be used to perform stochastic perturbation theory (sPT) to correct any non-linearly parametrized wavefunction that can be optimized using orbital space Variational Monte Carlo (VMC). Although the…
We present a technique for reducing the computational requirements by several orders of magnitude in the evaluation of semidefinite relaxations for bounding the set of quantum correlations arising from finite-dimensional Hilbert spaces. The…
We consider a fully quadratic vibronic model Hamiltonian for studying photoinduced electronic transitions through conical intersections. Using a second order perturbative approximation for diabatic couplings we derive an analytical…