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MELD program

Borden was interested in the PES of trimethylenemethane. Davidson indicated that his MELD program was capable of handling such a molecule. The ensuing collaboration with Davidson led to more than 20 coauthored... [Pg.278]

Ab initio calculations. ATOMSCF, BROWNIAN, KGNGRAF, KNGMD, ALCHEMY-II, HONDO-8, MELD, and other programs described in MOTECC book series (E. Clementi, Ed., 1989—1991, ESCOM, Leiden). IBM machines under VM, MVS, and AIX operating systems. [Pg.242]

Degenerate perturbation theory is implemented in the computer programs MELD and DALTON. Both use the Breit-Pauli spin-spin Hamiltonian with ROHF and MCSCF wave functions MELD also allows the use of Cl wave functions. [Pg.126]

Melde BJ, Holland BT, Blanford CF, Stein A (1999) Chem Mater 11 3302-3308 Menger K (1926) Allgemeine Raume und Cartesische Raume. I., Communications to the Amsterdam Academy of Sciences (English translation reprinted in Edgar GA (ed) (2004) Classics on fractals, studies in nonlinearity. Westview Press. Advanced Book Program, Boulder)... [Pg.431]

MELD belongs to traditional Cl codes. It was developed primarily for the study of electronic excitation spectra and molecular properties. It is a conventional Cl program which makes no use of GUGA, direct Cl, or many-body perturbation theory. The advantage retained, over more modem methods, is the flexibility to describe a wide variety of open-shell states, and options for some molecular properties. Preparation of data and running a job may seem complicated for those who are not familiar with the program. [Pg.495]


See other pages where MELD program is mentioned: [Pg.799]    [Pg.83]    [Pg.420]    [Pg.190]    [Pg.102]    [Pg.413]    [Pg.398]    [Pg.250]    [Pg.4601]    [Pg.361]    [Pg.56]    [Pg.91]   
See also in sourсe #XX -- [ Pg.126 ]

See also in sourсe #XX -- [ Pg.495 ]




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