插值(计算机图形学)
绝热过程
连接(主束)
数学
电离
统计物理学
物理
量子力学
经典力学
离子
几何学
运动(物理)
作者
Sara Giarrusso,Paola Gori‐Giorgi,Fabio Della Sala,Eduardo Fabiano
摘要
The performance of functionals based on the idea of interpolating between the weak and the strong-interaction limits the global adiabatic-connection integrand is carefully studied for the challenging case of noble-metal clusters. Different interpolation formulas are considered and various features of this approach are analyzed. It is found that these functionals, when used as a correlation correction to Hartree-Fock, are quite robust for the description of atomization energies, while performing less well for ionization potentials. Future directions that can be envisaged from this study and a previous one on main group chemistry are discussed.
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