(Field of Science):
- Architecture and urban planning (Engineering and Technology)
- Automation, electronics, electrical engineering and space technologies (Engineering and Technology)
- Information and communication technology (Engineering and Technology)
- Biomedical engineering (Engineering and Technology)
- Astronomy (Natural sciences)
- Computer and information sciences (Natural sciences)
- Physical sciences (Natural sciences)
(Field of Science)
Ministry points: Help
|Year 2023||140||Ministry Scored Journals List|
|2023||140||Ministry Scored Journals List|
|2022||140||Ministry Scored Journals List 2019-2022|
|2021||140||Ministry Scored Journals List 2019-2022|
|2020||140||Ministry Scored Journals List 2019-2022|
|2019||140||Ministry Scored Journals List 2019-2022|
Papers published in journal
Very accurate time propagation of coupled Schrödinger equations for femto- and attosecond physics and chemistry, with C++ source codePublication
In this article, I present a very fast and high-precision (up to 33 decimal places) C++ implementation of the semi-global time propagation algorithm for a system of coupled Schrödinger equations with a time-dependent Hamiltonian. It can be used to describe time-dependent processes in molecular systems after excitation by femto- and attosecond laser pulses. It also works with an arbitrary user supplied Hamiltonian and can be used...
Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADEPublication
This paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation framework to be used in many new fields such as quantum mechanics. The implementation details and associated gains in the accuracy of the results are discussed. Besides the "standard" double (64 bits)...
We propose a novel, highly-efficient approach for the evaluation of bond-orientational order parameters (BOPs). Our approach exploits the properties of spherical harmonics and Wigner 3jj-symbols to reduce the number of terms in the expressions for BOPs, and employs simultaneous interpolation of normalised associated Legendre polynomials and trigonometric functions to dramatically reduce the total number of arithmetic operations....
An extended basis inexact shift–invert Lanczos for the efficient solution of large-scale generalized eigenproblemsPublication
This paper proposes a technique, based on the Inexact Shift–Invert Lanczos (ISIL) method with Inexact Jacobi Orthogonal Component Correction (IJOCC) refinement, and a preconditioned conjugate-gradient (PCG) linear solver with multilevel preconditioner, for finding several eigenvalues for generalized symmetric eigenproblems. Several eigenvalues are found by constructing (with the ISIL process) an extended projection basis. Presented...
seen 400 times