The result shows that, the cova-lent bond of Ce-X(X represents halogen) is mainly due to the 5d and 4f orbitals of cerium) The spin unpairedly occupied molecular orbital is primarily composed of the 4f orbital of cerium;

• 结果表明,Ce-X(X为卤素)共价键主要由Ce的5d和4f轨道与卤素构成; 未成对电子基本分布在Ce的4f轨道上;