PsH体系动态多极极化率和范德华系数的变分Monte Carlo计算
A variational Monte Carlo calculation of dynamic multipole polarizabilities and van der Waals coefficients of the PsH system
摘要：
用变分蒙特卡罗方法和显式关联波函数计算了基态氢、氦、氢离子和正电子素氢化物PsH的前三个动态多极极化率。用扩散蒙特卡罗（DMC）方法和有限场方法计算了静态偶极极化率，结果表明VMC方法是相当精确的。从这些动态极化率的范德华色散系数的PsH与普通电子系统的相互作用可以计算，允许一个预测的PsH和不太奇特的原子和分子之间的相互作用的色散能。
英文摘要：
The first three dynamic multipole polarizabilities for the ground state of hydrogen, helium, hydride ion, and positronium hydride PsH have been computed using the variational Monte Carlo (VMC) method and explicitly correlated wave functions. Results for the static dipole polarizability by means of the diffusion Monte Carlo (DMC) method and the finite field approach show the VMC results to be quite accurate. From these dynamic polarizabilities van der Waals dispersion coefficients for the interaction of PsH with ordinary electronic systems can be computed, allowing one to predict the dispersion energy for the interaction between PsH and less exotic atoms and molecules.
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