关注: 1) 自旋-轨道耦合一般发生在重金属原子上 2) 电子之间的强关联作用也可以发生在氢原子上 Parameter-free calculation of single-particle electronic excitations in YH3. Physical Review B, 2002, 66(7): 075104. The second explanation for the large gap in YH3 and ...
关注: 1) 什么情形下要考虑非谐效应 This analysis predicts veryinteresting implications upon isotopic substitution in the dihydrogen unit. Thevibrational energy levels are lowered when heavier isotopes are introduced. Asa consequence, and again due to theanharmonicity, ...
http://en.wikipedia.org/wiki/Space_group#Notation_for_space_groups International symbol or Hermann–Mauguin notation . The Hermann–Mauguin (or international) notation describes the lattice and some generators for the group. It has a shortened form called the international short ...