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Distributed Gaussian basis

Bade Z and Light J C 1986 Highly exdted vibrational levels of floppy triatomic molecules—a discrete variable representation—distributed Gaussian-basis approach J. Chem. Phys. 85 4594... [Pg.2325]

Distributed Gaussian basis sets in correlation energy studies the second order correlation energy for the ground state of the hydrogen molecule... [Pg.157]

Distributed Gaussian Basis Sets in Correiation Energy Studies... [Pg.159]

Sprik, M. and Klein, M.L. (1988) Optimization ofa Distributed Gaussian Basis Set using Simulated Annealing Application to the Adiabatic Dynamics of the Solvated Electron,. /. Chem. Phys. 89, 1592—1607. [Pg.150]

Another distributed Gaussian basis set is the Gaussian Cell model of Haines et al(65) in which Gaussian s-type functions with a single common... [Pg.51]

A review of the application of distributed Gaussian basis sets to one-electron molecules has recently been given by one of us(70). [Pg.52]

Comparison of matrix Hartree-Fock and second-order correlation calculations using distributed Gaussian basis sets for the water ground state with some previous work. [Pg.58]

TABLE II. Phase Shifts for N=10. Columns A, distributed Gaussian basis B, non-orthogonal sines C, orthogonal sines D, orthogonal sines with Buttle correction E, Exact. [Pg.226]


See other pages where Distributed Gaussian basis is mentioned: [Pg.127]    [Pg.49]    [Pg.50]    [Pg.51]    [Pg.53]    [Pg.55]    [Pg.55]    [Pg.55]    [Pg.56]    [Pg.56]    [Pg.58]    [Pg.59]    [Pg.61]    [Pg.64]    [Pg.215]    [Pg.224]    [Pg.224]    [Pg.70]    [Pg.325]    [Pg.115]   
See also in sourсe #XX -- [ Pg.215 ]

See also in sourсe #XX -- [ Pg.325 ]




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