#ab initio methods
7 papers · 1 filter
Electronic and magnetic properties of small one-dimensional Wigner crystals from an ab initio approach
Daniele Lagasco, Jan Arjan Berger
The paper introduces an ab initio full‑configuration‑interaction method to compute electronic charge distributions and exchange coupling in small one‑dimensional Wigner crystals, m…
Recent Progress in Ab-Initio Nuclear Theory for Precision Physics Searches in Muonic Atoms and Superallowed Decays
Simone Salvatore Li Muli, Michael Gennari
The paper reviews recent ab‑initio nuclear‑theory advances for precision low‑energy tests of the Standard Model, focusing on two‑photon‑exchange corrections in muonic atoms and γW‑…
Preparing Small Gaussian Basis for Highly Accurate Ab Initio Description of Lithium Rydberg States
Jan Å mydke, BenjamÃn Andreides, Simona Dubcová
The paper introduces a compact, highly accurate Gaussian basis set for ab initio calculations of lithium Rydberg excited states up to principal quantum number n = 7, achieving sub‑…
Ab initio calculations of two-neutrino and neutrinoless double- decay of Ca and related Gamow-Teller strength distributions
Zhen Li, Lotta Jokiniemi, Achim Schwenk
The paper uses ab initio VS‑IMSRG calculations with chiral EFT interactions to predict two‑neutrino and neutrinoless double‑beta decay rates of ⁴⁸Ca, showing that an enlarged d₃/₂…
Real-time exciton dynamics in two-dimensional materials under ultrashort laser pulses
Dmitry Tumakov, Daria Popova-Gorelova
The paper presents a theoretical study of how excitons in two-dimensional h‑BN and GeS monolayers evolve in real time when driven by ultrashort laser pulses, using an ab initio tim…
Exact Calculation of Strongly Correlated Nucleonic Matter
Rongzhe Hu, Shaoliang Jin, Xin Zhen +4
The paper presents exact ab initio calculations of infinite nucleonic matter using the full configuration‑interaction quantum Monte Carlo method, demonstrating strong correlations…