常用单位转换

这是一篇关于原子单位和常用物理单位转换的博客,主要突出实用性,方便查阅,随时更新。

一、Hatree原子单位

The Hartree atomic units are a system of natural units of measurement which is especially convenient for calculations in atomic physics and related scientific fields, such as computational chemistry and atomic spectroscopy. They are named after the physicist Douglas Hartree. Atomic units are often abbreviated “a.u.” or “au”, not to be confused with the same abbreviation used also for astronomical units, arbitrary units, and absorbance units in other contexts.

摘自Wikipedia:https://en.wikipedia.org/wiki/Hartree_atomic_units

在原子单位制下,=m=e=1(a.u.)\hbar = m = e = 1(a.u.),该单位制下相应物理量的单位和转换关系为:

单位 符号 转换关系
长度 bohr 1bohr=0.529177210903(80)A˚1 bohr = 0.529177210903(80) \mathring{A}
能量 Hatree 1Eh=27.211386245988(53)eV1 E_h=27.211386245988(53)eV
电荷 e 1e=1.602176634×1019C1e=1.602176634×10^{−19} C
电荷密度 e/bohr3e/bohr^3 1e/bohr3=6.748334495e/A˚31e/bohr^3=6.748334495e/\mathring{A}^3
质量 mem_e 1me=9.1093837015(28)×1031kg1m_e=9.1093837015(28)×10^{−31}kg
Eh/a0E_h/a_0 1Eh/a0=51.421eV/A˚1E_h/a_0=51.421 eV/\mathring{A}

二、常用单位转换(随时更新)

1Ry=13.6057eV1 \quad Ry=13.6057\quad eV

1eV=8065.54cm11 \quad eV=8065.54 \quad cm^{-1}

1a.u.=2Ry1 \quad a.u.=2 \quad Ry

1A˚=1010m1 \quad \mathring{A}=10^{-10} \quad m

1s=1012ps1 \quad s=10^{12} \quad ps

1s=1015fs1 \quad s=10^{15} \quad fs

1eV=1.602×1019J1 \quad eV=1.602×10^{-19} \quad J