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首页> 外文期刊>Journal of atomic and molecular physics >Electron-Pair Densities with Time-Dependent Quantum Monte Carlo
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Electron-Pair Densities with Time-Dependent Quantum Monte Carlo

机译:随时间变化的量子的电子对密度Monte Carlo

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We use sets of de Broglie-Bohm trajectories to describe the quantum correlation effects which take place between the electrons in helium atom due to exchange and Coulomb interactions. A short-range screening of the Coulomb potential is used to modify the repulsion between the same spin electrons in physical space in order to comply with Pauli's exclusion principle. By calculating the electron-pair density for orthohelium, we found that the shape of the exchange hole can be controlled uniquely by a simple screening parameter. For parahelium the interelectronic distance, hence the Coulomb hole, results from the combined action of the Coulomb repulsion and the nonlocal quantum correlations. In this way, a robust and self-interaction-free approach is presented to find both the ground state and the time evolution of nonrelativistic quantum systems.
机译:我们使用de Broglie-Bohm轨迹集来描述由于交换和库仑相互作用而在氦原子中的电子之间发生的量子相关效应。为了符合保利的排除原理,对库仑电势进行了短距离筛选,以修改物理空间中相同自旋电子之间的排斥力。通过计算邻氦的电子对密度,我们发现交换孔的形状可以通过简单的筛选参数唯一地控制。对于副氦,电子间距离(即库伦空穴)是库仑斥力和非局部量子相关性共同作用的结果。通过这种方式,提出了一种鲁棒且无自相互作用的方法来找到非相对论量子系统的基态和时间演化。

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