The electron affinity of NH2: a restricted active-space SCF multi-reference CI study
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[1] Alistair P. Rendell,et al. The restricted active space self-consistent-field method, implemented with a split graph unitary group approach , 1990 .
[2] M. Yoshimine,et al. A theoretical study of the electron affinity of methylene , 1989 .
[3] W. C. Lineberger,et al. NH2 electron affinity , 1989 .
[4] Jeppe Olsen,et al. Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces , 1988 .
[5] Robert J. Gdanitz,et al. The averaged coupled-pair functional (ACPF): A size-extensive modification of MR CI(SD) , 1988 .
[6] Peter R. Taylor,et al. General contraction of Gaussian basis sets. I. Atomic natural orbitals for first‐ and second‐row atoms , 1987 .
[7] J. V. Ortiz. Electron affinity calculations on NH−2, PH−2, CN−, SH−, OH−, Cl−, and F−: Basis sets and direct vs indirect methods , 1987 .
[8] J. Owrutsky,et al. Velocity modulation infrared laser spectroscopy and structure of the amide anion (NH−2 ) , 1986 .
[9] Delano P. Chong,et al. A modified coupled pair functional approach , 1986 .
[10] Claus Ehrhardt,et al. The coupled pair functional (CPF). A size consistent modification of the CI(SD) based on an energy functional , 1985 .
[11] Per E. M. Siegbahn,et al. Singlet and triplet energy surfaces of NiH2 , 1983 .
[12] Richard L. Martin,et al. All-electron relativistic calculations on silver hydride. An investigation of the Cowan-Griffin operator in a molecular species , 1983 .
[13] B. Roos,et al. The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule , 1981 .
[14] B. Roos,et al. A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach , 1980 .
[15] D. C. Griffin,et al. Approximate relativistic corrections to atomic radial wave functions , 1976 .