New methods for ab initio quantum mechanical calculations in molecular and crystalline systems
NOTE: Text or symbols not renderable in plain ASCII are indicated by [...]. Abstract is included in .pdf document. This thesis deals with the development of new methods for doing ab initio quantum mechanical calculations of electronic wavefunctions of large molecules and crystalline systems with th...
Similar Items
-
Linear-scaling methods in ab initio quantum-mechanical calculations
by: Haynes, P.
Published: (1998) -
Ab-initio Methods for Quantum Calculations on Surface Energies
by: Hsiao-Wei Chang, et al.
Published: (2012) -
Ab initio calculation of molecular surfaces
by: Su, Ming-Der
Published: (1991) -
Ab initio calculation of molecular properties
by: Somasundram, K.
Published: (1986) -
Ab initio calculations of the optical properties of crystalline and liquid InSb
by: Haruyuki Sano, et al.
Published: (2015-11-01)