tdhf和tddft基于hf和dft，推导很相似，原理都是考虑引入微扰，通过计算体系对微扰的一阶（线性）响应，来得到基态到激发态的跃迁概率和能量的。 之所以说HF是近似方法，是因为根 …

2019年3月11日 · Time-dependent Hartree-Fock (TDHF) theory has been a powerful tool in describing a variety of complex nuclear dynamics microscopically without empirical para...

2019年2月5日 · Abstract: Time-dependent Hartree-Fock (TDHF) theory has been a powerful tool in describing a variety of complex nuclear dynamics microscopically without empirical …

VASP offers a powerful module for performing time-dependent density-functional theory (TDDFT) or time-dependent Hartree-Fock (TDHF) calculations by solving the Casida equation .

2014年7月1日 · The realm of TDHF calculations of nuclear excitations are spectra in deformed systems, stability analysis of exotic configurations, and in particular non-linear dynamics. …

2024年5月2日 · We implemented TDHF in the Octopus real-space code as a step toward linear-response hybrid time-dependent density-functional theory (TDDFT), other post-HF methods, …

PySCF implements the time-dependent Hartree-Fock (TDHF) and time-dependent density functional theory (TDDFT) (frequency domain) linear response theories to compute excited …

Time-dependent Hartree-Fock (TDHF) theory has been a powerful tool in describing a variety of complex nuclear dynamics microscopically without empirical parameters. In this contribution, …

Time-dependent Hartree-Fock (TDHF) theory has been a powerful tool in describing a variety of complex nuclear dynamics microscopically without empirical parameters. In this contribution, …

2015年6月8日 · tdhf：求解时需要求解一个维度比 c is矩阵大一倍的矩阵本征值，计算矩阵元所花时间比 c is要多不少。tdhf比 c is改进甚微（激发能虽然比 c is降低了一点，但仍然高估），这 …