相关论文: Precise estimation of shell model energy by second…

We propose a new shell model method, combining the Lanczos digonalization and extrapolation method. This method can give accurate shell model energy from a series of shell model calculations with various truncation spaces, in a…

An extrapolation method in shell model calculations with deformed basis is presented, which uses a scaling property of energy and energy variance for a series of systematically approximated wave functions to the true one. Such approximated…

We propose an extrapolation method utilizing energy variance in the Monte Carlo shell model in order to estimate the energy eigenvalue and observables accurately. We derive a formula for the energy variance with deformed Slater…

A method of truncating the large shell model basis is outlined. It relies on the order given by the unperturbed energies of the basis states and on the constancy of their spreading widths. Both quantities can be calculated by a simple…

Nuclear many-body calculations are computationally demanding. An estimate of their accuracy is often hampered by the limited amount of computational resources even on present-day supercomputers. We provide an extrapolation method based on…

We discuss a variational calculation for nuclear shell-model calculations and propose a new procedure for the energy-variance extrapolation (EVE) method using a sequence of the approximated wave functions obtained by the variational…

We propose a new variational Monte Carlo (VMC) method with an energy variance extrapolation for large-scale shell-model calculations. This variational Monte Carlo is a stochastic optimization method with a projected correlated condensed…

We present a procedure that is helpful to reduce the computational complexity of large-scale shell-model calculations, by preserving as much as possible the role of the rejected degrees of freedom in an effective approach. Our truncation is…

Selected configuration interaction (SCI) methods have emerged as state-of-the-art methodologies for achieving high accuracy and generating benchmark reference data for ground and excited states in small molecular systems. However, their…

Calculations of nuclei are often carried out in finite model spaces. Thus, finite-size corrections enter, and it is necessary to extrapolate the computed observables to infinite model spaces. In this work, we employ extrapolation methods…

The energy variance extrapolation method consists in relating the approximate energies in many-body calculations to the corresponding energy variances and inferring eigenvalues by extrapolating to zero variance. The method needs a fast…

In this paper, an alternative method to range-separated linear-response time-dependent density-functional theory and perturbation theory is proposed to improve the estimation of the energies of a physical system from the energies of a…

A method for solving the shell-model eigenproblem in a severely truncated space, spanned by properly selected correlated states obtained by partitioning the full configuration space, is proposed. The method describes in a practically exact…

We present a method to extrapolate nuclear binding energies from known values for neighbouring nuclei. We select four specific mass relations constructed to eliminate smooth variation of the binding energy as function nucleon numbers. The…

Different techniques for calculating effective operators within the framework of the shell model using the same effective interaction and the same excitation spaces are presented. Starting with the large-basis no-core approach, we compare…

The shell correction method is revisited. Contrary to the traditional Strutinsky method, the shell energy is evaluated by an averaging over the number of particles and not over the single-particle energies, which is more consistent with the…

By judicious use of extrapolations to the 1-particle basis set limit and $n$-particle calibration techniques, total atomization energies of molecules with up to four heavy atoms can be obtained with calibration accuracy (1 kJ/mol or better,…

We propose an extrapolation technique that allows accuracy improvement of the discrete dipole approximation computations. The performance of this technique was studied empirically based on extensive simulations for 5 test cases using many…

We propose a variational calculation scheme utilizing the superposition of the angular-momentum, parity, number projected quasiparticle vacua, that is especially suitable for applying to medium-heavy nuclei in shell-model calculations. We…

We propose a new theoretical method for the calculation of the interaction energy between macromolecular systems at large distances. The method provides a linear scaling of the computing time with the system size and is considered as an…