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

量子蒙特卡罗方法将被用来进一步研究周期模拟池中凝聚态物质的模型。我们将发展和研究三维和二维均匀电子气的三体回流关联。我们将开发二维电子-空穴气体的配对波函数，并将其用于研究量子相行为。在没有Born-Oppenheimer近似的情况下，我们将开发周期细胞的电子-核波函数，并将其用于将振动效应纳入量子蒙特卡罗计算中