In search of the electron-phonon contribution to total energy

<p>The total energy is a fundamental characteristic of solids, molecules, and nanostructures. In most first-principles calculations of the total energy, the nuclear...总能量是固体、分子及纳米结构的基本固有特性。在绝大多数针对总能量的第一性原理（first-principles）计算中，原子核（nuclear）……