Introduction to Computational Chemistry

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics:

Polarizable force fieldsTight-binding DFTMore extensive DFT functionals, excited states and time dependent molecular propertiesAccelerated Molecular Dynamics methodsTensor decomposition methodsCluster analysisReduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3