WebbDFT+DMFT calculations of the complex band and tunneling behavior for the transition metal monoxides MnO, FeO, CoO, and NiO Webb2 maj 2024 · Received November 16, 2024; Accepted February 18, 2024; Published May 2, 2024. Tensor networks (TNs) have become one of the most essential building blocks for …
Reduced density-matrix functional theory: Correlation and spectroscopy
Webb15 mars 2024 · Abstract. Tensor networks represent the state-of-the-art in computational methods across many disciplines, including the classical simulation of quantum many … Webb13 juli 2015 · In this work, we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the calculation of total energies, occupation numbers, removal/addition energies, and spectral functions. … pythondataframe索引
Xiao-Gang Wen - Google Scholar
Webb10 juli 2015 · Phys. Rev. Lett. 80, 1373–1376 (1998). Article ADS MathSciNet CAS Google Scholar Rigol ... Phys. Rev. B 80, 155131 (2009). Article ADS Google Scholar Webb11 apr. 2024 · Despite the success of GW tc Γ in molecules, extending it to condensed systems, e.g., solids or low-dimensional materials, is still challenging. The polarizability … Webb10 feb. 2024 · Austin K. Daniel, Rafael N. Alexander, and Akimasa Miyake, Quantum 4, 228 (2024). What kinds of symmetry-protected topologically ordered (SPTO) ground states … pythondataframe排序