Quantum Monte Carlo studies of periodic many-body systems

周期性多体系统的量子蒙特卡罗研究

• 批准号: 2731113
• 金额: --
• 依托单位: Lancaster University
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2022
• 资助国家: 英国
• 起止时间: 2022 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2731113
• 关键词: Quantum; Monte; Carlo; studies; periodic

Quantum Monte Carlo methods will be developed for advanced studies of models of condensed matter in periodic simulation cells. Three-body backflow correlations will be developed and investigated for homogeneous electron gases in three and two dimensions. Pairing wave functions for electron-hole gases in two dimensions will be developed and used to investigate quantum phase behaviour. Trial electron-nucleus wave functions for periodic cells will be developed and used to incorporate vibrational effects into quantum Monte Carlo calculations without the Born-Oppenheimer approximation

将开发量子蒙特卡洛方法，用于定期模拟细胞中冷凝物质模型的高级研究。将开发和研究三体回流相关性，以在三个维度和二维的均质电子气体中进行研究。将开发出在二维中电子孔气体的配对波函数，并用于研究量子相行为。试验电子核波函数将开发出周期性细胞的函数，并用于将振动效应纳入量子蒙特卡洛计算中，而无需Born-Oppenheimer近似