[1] 合肥线性标度从头模拟软件包HONPAS总体介绍 (HONPAS 引用) Xinming Qin, Honghui Shang, Hongjun Xiang, Zhenyu Li, Jinlong Yang*, HONPAS : A linear scaling open-source solution for large system simulations, Int. J. Quantum Chem. 115, 647 (2015) . [2] 数值原子轨道基组下的线性标度电子结构...
HONPAS is an ab initio electronic structure program for linear scaling or O( N ) first-principles calculations of large and complex systems using standard norm-conserving pseudopotentials, numerical atomic orbitals (NAOs) basis sets, and periodic boundary conditions. HONPAS is developed in the ...
The github version of HONPAS Mar 31, 2023 HONPAS_Examples Update: HONPAS_Examples Feb 7, 2024 Obj Fix: Spin-polarized coefficient for HFX forces Jul 17, 2023 Pseudo The github version of HONPAS Mar 31, 2023 Src Update: HONPAS_Examples ...
HONPAS is an ab initio electronic structure program for linear scaling or O( N ) first-principles calculations of large and complex systems using standard norm-conserving pseudopotentials, numerical atomic orbitals (NAOs) basis sets, and periodic boundary conditions. HONPAS is developed in the frame...
商标名称 PASHON 国际分类 第09类-科学仪器 商标状态 商标注册申请 申请/注册号 44970434 申请日期 2020-03-27 申请人名称(中文) 广东庞盛科技有限公司 申请人名称(英文) - 申请人地址(中文) 广东省广州市黄埔区塘东路1号大院10号(部位:301) 申请人地址(英文) - 初审公告期号 - 初审公告日期 - 注册公告期...
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