Program Package using two-component ab initio calculations in Kramers restricted and unrestricted formalisms Developer : Dr. Inkoo Kim
Developed codes for two-component calculations Developer : Dr. Yong suk Kim et. al KRHF : J. Comput. Chem. 13, 595 (1992) KUHF : Int. J. Quant. Chem. 66, 91-98 (1998) KRMP2 : Chem. Phys. Lett. 187, 302 (1991) KRCI : J. Chem. Phys. Lett. 187, 302 (1991) KRCC : Chem. Phys. Lett. 293, 97 (1998) KRHF-OPT : J. Comput. Chem. 19, 1526-1533 (1998) KRHF-FREQ : J. Phys. Chem. A, (1999) |