激发态
物理
耦合簇
基态
量子点
原子轨道
哈密顿量(控制论)
量子力学
库仑
奇点
从头算
微扰理论(量子力学)
基准集
量子电动力学
密度泛函理论
分子
数学
几何学
数学优化
电子
作者
Faruk Salihbegović,Alejandro Gallo,Andreas Grüneis
出处
期刊:Physical review
日期:2022-03-08
卷期号:105 (11)
被引量:1
标识
DOI:10.1103/physrevb.105.115111
摘要
We present a study of the two-dimensional circular quantum dot model Hamiltonian using a range of quantum chemical ab initio methods. Ground and excited state energies are computed on different levels of perturbation theories, including the coupled cluster method. We outline a scheme to compute the required Coulomb integrals in real space and utilize a semianalytic solution to the integral over the Coulomb kernel in the vicinity of the singularity. Furthermore, we show that the remaining basis set incompleteness error for two-dimensional quantum dots scales with the inverse number of virtual orbitals, allowing us to extrapolate to the complete basis set limit energy. By varying the harmonic potential parameter we tune the correlation strength and investigate the predicted ground and excited state energies.
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