Related papers: A Generic Approach to Electronic Structure Calcula…
Response theory has a successful history of connecting experimental observations with theoretical predictions. Of particular interest is the optical response of matter, from which spectroscopy experiments can be modelled. However, the…
We expose (without proofs) a unified computational approach to integrable structures (including recursion, Hamiltonian, and symplectic operators) based on geometrical theory of partial differential equations. We adopt a coordinate based…
Quantum computing methods for excited-state calculations remain underexplored in Noisy Intermediate-Scale Quantum (NISQ) hardware, despite their critical role in photochemistry and material science. Herein, we propose a resource-efficient…
An algebraic approach to the study of entanglement entropy of quantum systems is reviewed. Starting with a state on a $C^*$-algebra, one can construct a density operator describing the state in the GNS representation state. Applications of…
In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…
The paper is devoted to further development of the new approach in equilibrium statistical mechanics the basis of which was worked out in a series of articles by the author. The approach proceeds on the use of a hierarchy of equations for…
We show that quantum computation circuits with coherent states as the logical qubits can be constructed using very simple linear networks, conditional measurements and coherent superposition resource states.
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…
Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…
We introduce novel schemes for quantum computing based on local measurements on entangled resource states. This work elaborates on the framework established in [Phys. Rev. Lett. 98, 220503 (2007), quant-ph/0609149]. Our method makes use of…
A multiscale approach was adopted for the calculation of confined states in self-assembled semiconductor quantum dots (QDs). While results close to experimental data have been obtained with a combination of atomistic strain and…
A quantum computer based on an asymmetric coupled dot system has been proposed and shown to operate as the controlled-NOT-gate. The basic idea is (1) the electron is localized in one of the asymmetric coupled dots. (2)The electron transfer…
The ground state energy of a many-electron system can be approximated by an variational approach in which the total energy of the system is minimized with respect to one and two-body reduced density matrices (RDM) instead of many-electron…
We discuss the problem of partitioning a macroscopic system into a collection of independent subsystems. The partitioning of a system into replica-like subsystems is nowadays a subject of major interest in several field of theoretical and…
A quantum computer promises efficient processing of certain computational tasks that are intractable with classical computer technology. While basic principles of a quantum computer have been demonstrated in the laboratory, scalability of…
Quantum computation can proceed solely through single-qubit measurements on an appropriate quantum state, such as the ground state of an interacting many-body system. We investigate a simple spin-lattice system based on the cluster-state…
A major question for condensed matter physics is whether a solid-state quantum computer can ever be built. Here we discuss two different schemes for quantum information processing using semiconductor nanostructures. First, we show how…
Nature-inspired devices and architectures are attracting considerable attention for various purposes, including the development of novel computing techniques based on spatiotemporal dynamics, exploiting stochastic processes for computing,…
Energies with high-order non-submodular interactions have been shown to be very useful in vision due to their high modeling power. Optimization of such energies, however, is generally NP-hard. A naive approach that works for small problem…
The processing of energy by transfer and redistribution plays a key role in the evolution of dynamical systems. At the ultrasmall and ultrafast scale of nanosystems, quantum coherence could in principle also play a role and has been…