output
20062026
most citedRecent developments in the PySCF program package

1.2k citations

Showing 2018Show all

11 papers · 1 filter

cond-mat.str-el2018★ 45 cited

Ni-based transition-metal trichalcogenide monolayer: a strongly correlated quadruple-layer graphene

Yuhao Gu, Qiang Zhang, Congcong Le +3

We investigate the electronic physics of layered Ni-based trichalcogenide NiPX (X=S, Se), a member of transition-metal trichalcogenides (TMTs) with the chemical formula, ABX$_3…

physics.app-ph2018★ 126 cited

Truly concomitant and independently expressed short- and long-term plasticity in Bi2O2Se-based three-terminal memristor

Ziyang Zhang, Tianran Li, Yujie Wu +10

Orchestration of diverse synaptic plasticity mechanisms across different timescales produces complex cognitive processes. To achieve comparable cognitive complexity in memristive n…

cond-mat.mes-hall2018★ 8 cited

Transport signatures of relativistic quantum scars in a graphene cavity

G. Q. Zhang, Xianzhang Chen, Li Lin +5

We study a relativistic quantum cavity system realized by etching out from a graphene sheet by quantum transport measurements and theoretical calculations. The conductance of the g…

cond-mat.mtrl-sci2018

VS: a Kondo lattice based on intercalation of van der Waals layered transition metal dichalcogenide

Jingjing Niu, Zhilin Li, Sixian Yang +10

Since the discovery of graphene, a tremendous amount of two dimensional (2D) materials have surfaced. Their electronic properties can usually be well understood without considering…

cond-mat.supr-con2018★ 7 cited

Predicting Diamond-like Co-based Chalcogenides as Unconventional High Temperature Superconductors

Jiangping Hu, Yuhao Gu, Congcong Le

We predict Co-based chalcogenides with a diamond-like structure can host unconventional high temperature superconductivity (high-). The essential electronic physics in these m…

quant-ph2018★ 16 cited

Exact generator and its high order expansions in the time-convolutionless generalized master equation: Applications to the spin-boson model and exictation energy transfer

Yanying Liu, Yaming Yan, Meng Xu +2

The time-convolutionless (TCL) quantum master equation provides a powerful tool to simulate reduced dynamics of a quantum system coupled to a bath. The key quantity in the TCL mast…