Time-Dependent Density-Functional Theory: Concepts and Applications (Oxford Graduate Texts)

Time-dependent Density-functional Theory (tddft) Describes The Quantum Dynamics Of Interacting Electronic Many-body Systems Formally Exactly And In A Practical And Efficient Manner. Tddft Has Become The Leading Method For Calculating Excitation Energies And Optical Properties Of Large Molecules, With Accuracies That Rival Traditional Wave-function Based Methods, But At A Fraction Of The Computational Cost. This Book Is The First Graduate-level Text On The Concepts And Applications Of Tddft, Including Many Examples And Exercises, And Extensive Coverage Of The Literature. The Book Begins With A Self-contained Review Of Ground-state Dft, Followed By A Detailed And Pedagogical Treatment Of The Formal Framework Of Tddft. It Is Explained How Excitation Energies Can Be Calculated From Linear-response Tddft. Among The More Advanced Topics Are Time-dependent Current-density-functional Theory, Orbital Functionals, And Many-body Theory. Many Applications Are Discussed, Including Molecular Excitations, Ultrafast And Strong-field Phenomena, Excitons In Solids, Van Der Waals Interactions, Nanoscale Transport, And Molecular Dynamics.