Program Package

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)


Comments