Title of article :
Spectral theory of the chemical bond
Author/Authors :
Langhoff، نويسنده , , P.W. and Hinde، نويسنده , , R.J. and Boatz، نويسنده , , J.A. and Sheehy، نويسنده , , J.A.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2002
Pages :
6
From page :
231
To page :
236
Abstract :
New theoretical methods are reported for obtaining the binding energies of molecules and other atomic aggregates employing the spectral eigenstates and related properties of the constituent atoms in the absence of prior wave function antisymmetry. Calculations of the lowest-lying attractive and repulsive states of the electron pair bond as functions of atomic separation from chemical (exchange) to physical (van der Waals) binding regions illustrate the nature of the formalism and its convergence to values in accord with results obtained employing conventional methods.
Journal title :
Chemical Physics Letters
Serial Year :
2002
Journal title :
Chemical Physics Letters
Record number :
1780901
Link To Document :
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