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Semi-empirical quantum chemistry method

Known as: Semi-empirical quantum chemistry methods, Semiempirical quantum chemistry methods, Semiempirical 
Semi-empirical quantum chemistry methods are based on the Hartree–Fock formalism, but make many approximations and obtain some parameters from… 
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ADF InfoAMPACAb initio quantum chemistry methodsAustin Model 1

Papers overview

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Highly Cited
2014
Highly Cited
2014
Computational Study of Metal Contacts to Monolayer Transition-Metal Dichalcogenide Semiconductors
Modern electronics rely on semiconductors such as silicon. Researchers show how a new class of semiconductors---monolayer… 
Review
2011
Review
2011
THE EVOLUTION OF CATACLYSMIC VARIABLES AS REVEALED BY THEIR DONOR STARS
We present an attempt to reconstruct the complete evolutionary path followed by cataclysmic variables (CVs), based on the… 
Highly Cited
2007
Highly Cited
2007
Non-Newtonian rheology of crystal-bearing magmas and implications for magma ascent dynamics
Highly Cited
2006
Highly Cited
2006
Semiempirical van der Waals correction to the density functional description of solids and molecular structures
The influence of a simple semiempirical van der Waals (vdW) correction on the description of dispersive, covalent, and ionic… 
Highly Cited
2004
Highly Cited
2004
Mathematical Modelling and the Determination of Some Quality Parameters of Air-dried Bay Leaves
Review
2000
Review
2000
On the application of the IMOMO (integrated molecular orbital + molecular orbital) method
Five years ago Morokuma and colleagues introduced the IMOMO method, which integrates two molecular orbital methods into one… 
Review
1999
Review
1999
Chemical reactivity indexes in density functional theory
The theoretical description of charge distribution, and related properties, such as chemical reactivity descriptors of chemical… 
Highly Cited
1999
Highly Cited
1999
Molecular and solid‐state tests of density functional approximations: LSD, GGAs, and meta‐GGAs
Results from numerical tests of nine approximate exchange–correlation energy functionals are reported for various systems—atoms… 
Highly Cited
1978
Highly Cited
1978
Counterintuitive Orbital Mixing in Semiempirical and ab Initio Molecular Orbital Calculations
In both extended Hiickel and limited basis set ab initio SCF molecular orbital calculations an intriguing phenomenon occurs… 
Highly Cited
1957
Highly Cited
1957
Semi-empirical Formula for the Seismic Characteristics of the Ground
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