相关论文: Assessment of Low Scaling Approximations to EOM-CC…

Two methods the complex energy shell model (CXSM) and the complex scaling (CS) approach were used for calculating isobaric analog resonances (IAR) in the Lane model. The IAR parameters calculated by the CXSM and the CS methods were checked…

Orthogonal signal-division multiplexing (OSDM) is an attractive alternative to conventional orthogonal frequency-division multiplexing (OFDM) due to its enhanced ability in peak-to-average power ratio (PAPR) reduction. Combining OSDM with…

The independent atom model - pixel counting method (IAM-PCM) for the description of ion-molecule collisions is reviewed. The method was introduced (in 2016) to improve on the simple additivity rule according to which scattering cross…

The numerical computation of chemical potential in dense, non-homogeneous fluids is a key problem in the study of confined fluids thermodynamics. To this day several methods have been proposed, however there is still need for a robust…

The quantum electrodynamics (QED) corrections are directly incorporated into the most accurate treatment of the correlation corrections for ions with complex electronic structure of interest to metrology and tests of fundamental physics. We…

An implementation of the coupled-cluster single- and double excitations (CCSD) method on two-dimensional quantum dots is presented. Advantages and limitations are studied through comparison with other high accuracy approaches for two to…

In quantum computing systems the quantum states of qubits can be modified among others by applying light pulses. In order to achieve low computing error rates these pulses have to be precisely shaped in magnitude and phase. In practical…

We show that efficient norm-conserving pseudopotentials for electronic structure calculations can be obtained from a polynomial Ansatz for the potential. Our pseudopotential is a polynomial of degree ten in the radial variable and fulfills…

Our exact theory for continuous harmonic perturbation of a one dimensional model atom by parametric variations of its potential is generalized for the cases when a) the atom is exposed to short pulses of an external harmonic electric field…

We propose a method for scaling trapped ions for large-scale quantum computation and communication based on a probabilistic ion-photon mapping. Deterministic quantum gates between remotely located trapped ions can be achieved through…

The article deals with the extension of the relativistic double-ionization equation-of-motion coupled-cluster (DI-EOMCC) method [H. Pathak et al. Phys. Rev. A 90, 010501(R) (2014)] for the molecular systems. The Dirac-Coulomb (DC)…

Quantum Approximate Optimization Algorithm (QAOA) is one of the most promising quantum algorithms for the Noisy Intermediate-Scale Quantum (NISQ) era. Quantifying the performance of QAOA in the near-term regime is of utmost importance. We…

This paper is devoted to numerical approximations for the wave equation with a multiscale character. Our approach is formulated in the framework of the Localized Orthogonal Decomposition (LOD) interpreted as a numerical homogenization with…

In this letter, we propose a computationally efficient method for joint selection of cancellation carriers (CCs) and calculation of their values minimizing the out-of-band (OOB) power in non-contiguous (NC-) OFDM transmission. The proposed…

Using the optimized effective potential method in conjunction with the semi-analytical approximation due to Krieger, Li and Iafrate, we have performed fully self-consistent exact exchange-only density-functional calculations for diatomic…

Parameterized quantum circuits (PQCs) are ubiquitous in the design of hybrid quantum-classical algorithms. In this work, we propose an interpolation-based coordinate descent (ICD) method to address the parameter optimization problem in…

The quantum approximate optimization algorithm (QAOA) is an approach for near-term quantum computers to potentially demonstrate computational advantage in solving combinatorial optimization problems. However, the viability of the QAOA…

Fast robust methods for calculating likelihoods from CMB observations on small scales generally rely on approximations based on a set of power spectrum estimators and their covariances. We investigate the optimality of these approximation,…

We formulate and implement the core-valence separated multireference equation-of-motion driven similarity renormalization group method (CVS-IP-EOM-DSRG) for simulating X-ray photoelectron spectra (XPS) of strongly correlated molecular…

We have employed the steepest descent method to optimise the variational ground state quantum Monte Carlo wave function for He, Li, Be, B and C atoms. We have used both the direct energy minimisation and the variance minimisation…