TY  - BOOK
AU  - Frank Jensen
TI  - Introduction to computational chemistry
SN  - 978111825990
U1  - 541.0285 23
PY  - 2017///
CY  - New Delhi
PB  - Wiley
KW  - Chemistry
KW  - Physical Theoretical
N2  - 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 fields
Tight-binding DFT
More extensive DFT functionals, excited states and time dependent molecular properties
Accelerated Molecular Dynamics methods
Tensor decomposition methods
Cluster analysis
Reduced scaling and reduced prefactor methods
ER  -