对N-身体扰动理论的灵活方法
Ramón Alain Miranda-Quintana1, Taewon D Kim1,2, Rugwed A Lokhande1
1Department of Chemistry and Quantum Theory Project, University of Florida, Gainesville, Florida 32603, United States.
The journal of physical chemistry. A
|April 23, 2024
概括
我们介绍了一种新的N体扰动理论 (FANPT) 的灵活方法,用于解决复杂波函数的施罗丁格方程. 这种方法提供稳定,任意顺序的解决方案,即使对于具有挑战性的量子系统.
科学领域:
- 量子力学就是量子力学.
- 计算化学计算化学
- 理论物理 理论物理
背景情况:
- 解决施罗丁格方程对于理解量子系统至关重要.
- 现有的方法面临复杂的波函数和强烈的相关性挑战.
- 对于任意的N体系统,需要一个强大的扰动理论框架.
研究的目的:
- 开发一个新的扰动理论框架来解决施罗丁格方程.
- 为了引入N体扰动理论 (FANPT) 的灵活方法.
- 为了实现任意波函数的投影解决方案.
主要方法:
- 递归FANPT表达式的导数.
- 在扰乱层次结构中扩展到任意的顺序.
- 在N体配置交互的灵活方法 (FANCI) 的基础上.
主要成果:
- FANPT为施罗丁格方程的投影性解决方案提供了一个框架.
- 对于任意扰动顺序的递归表达式是导出的.
- 在各种条件下,FANPT方程展示了良好的解决方案.
结论:
- 对于量子力学计算,FANPT提供了一种稳定而通用的方法.
- 该方法对静态相关性主导和非线性波函数有效.
- FANPT推进了N体量子系统的计算处理.
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