SEARCH Articles Figures Tables Ab-initio quantum chemical methods Advanced ab initio Methods, Density Functional Theory and Solid-state Quantum Mechanics Ah initio Quantum Chemical Methods Applications of Quantum Chemical Methods to Tautomeric Equilibria Applications of quantum mechanical methods Approximate methods of quantum mechanics Approximate quantum chemical methods NDO and EHT Approximation methods quantum-mechanical Benchmarking quantum control methods Capabilities of quantum-mechanical methods Carlo Quantum Methods for Electronic Structure Computational quantum chemical methods Computational quantum chemical methods INDEX Computational quantum chemistry methods Computational quantum mechanics semi-empirical methods Dissipative Quantum Methods Examples of Quantum Chemical Methods First-principles quantum chemical methods Fixed-node quantum Monte Carlo method Free Energy Perturbation Methods with Quantum Energies Full-quantum dynamics method Gaussian methods quantum dynamics Hartree-Fock quantum method Hartree-Fock quantum-mechanical method Hybrid Quantum-Mechanical and Molecular echanical Methods INDO quantum chemical method Materials properties quantum mechanical methods Mean-field trajectory method nonadiabatic quantum dynamics Method nonempirical quantum Mixed quantum-classical methods Mixed quantum-classical methods large systems Mixed quantum-classical methods mean-field trajectory Molecular descriptor quantum chemical method Molecular quantum similarity methods Multiconfiguration time-dependent Hartree MCTDH) method, quantum Multiconfigurational quantum methods Optimization of MIP performance through quantum chemical methods Overview of quantum reactive methods and remarks on the coupled equations problem PCILO quantum chemical method Path integral quantum Monte Carlo method Path integral quantum Monte Carlo method PIQMC) Perturbation method, in quantum Perturbation method, in quantum mechanics Photochemical methods quantum yield Progress in Quantum Chemical Methods Proteins quantum chemical methods Proton transfer quantum methods QMSTAT quantum chemical methods Quantitative structure-property quantum chemical method Quantum Chemistry Methods for the Prediction of Molecular Thermochemistry Quantum Consistent force field method Quantum ElectroDynamics methods Quantum IMOMM method Quantum Mechanical Methods for Predicting Nonlinear Optical Properties Quantum Mechanical Methods for Structure Elucidation Quantum Mechanical Methods for Studying the Solid State Quantum Mechanics-Based Computational Methods Quantum Monte Carlo method Quantum Monte Carlo method applications Quantum Monte Carlo method correlation energy Quantum Monte Carlo method diffusion Quantum Monte Carlo method excited states Quantum Monte Carlo method fixed-node approximation Quantum Monte Carlo method importance sampling Quantum Monte Carlo method localization function Quantum Monte Carlo method precision Quantum Monte Carlo method trial functions Quantum and Molecular Mechanical Methods Quantum approximate method Quantum chemical calculations semiempirical methods Quantum chemical method/calculation Quantum chemical methods Quantum chemical methods basis sets Quantum chemical methods density matrix elements Quantum chemical methods shielding tensor Quantum chemical methods, computational applicability Quantum chemistry Ritz method Quantum chemistry gradient methods Quantum chemistry methods Quantum chemistry methods approximations Quantum chemistry methods basis sets Quantum chemistry methods correlation models Quantum chemistry methods semi-empirical models Quantum chemistry methods solvent effects Quantum chemistry semiempirical methods Quantum computational methods Quantum conductivity method Quantum defect orbital calculation method Quantum defect orbital method Quantum density functional methods Quantum dynamics real wave packet method Quantum exact method Quantum impact-parameter method Quantum many-body dynamics method Quantum mechanical method Quantum mechanical methods, calculation Quantum mechanical methods, calculation widths Quantum mechanical perturbation method Quantum mechanical/molecular mechanics QM/MM) methods Quantum mechanics A mathematical method Quantum mechanics Hartree-Fock method Quantum mechanics based methods Quantum mechanics coupled cluster methods Quantum mechanics electron correlation methods Quantum mechanics generalized valence bond method Quantum mechanics method definition Quantum mechanics methods Quantum mechanics methods approximation Quantum mechanics methods electronic structure-based explicit Quantum mechanics methods potential energy surface based Quantum mechanics methods reaction Quantum mechanics methods real potential Quantum mechanics methods simulations Quantum mechanics self-consistent field methods Quantum mechanics semi-empirical methods Quantum mechanics semiempirical methods Quantum mechanics wave-function-based methods Quantum methods using potential energy surfaces Quantum theory, relativistic methods Quantum wave packets methods Quantum wavepacket methods Quantum-Onsager method Quantum-chemical Dynamics with the Slater-Roothaan Method Quantum-chemical methods poly Quantum-chemical methods valence bond method Quantum-chemical methods, for molecular Quantum-classical Liouville method Quantum-classical method Quantum-classical method separability assumption Quantum-mechanical charge field method Quantum-mechanical computer methods Range of Quantum Mechanics Methods Reactive force-field quantum chemical methods Real wave packet method, quantum Relativistic quantum defect orbital method Roots of Self-Consistent Methods in Quantum Chemistry Scaled quantum mechanical force field method Scaled quantum mechanical methods Scaling Methods in Quantum Chemistry Self-consistent field method quantum mechanical Semi-empirical quantum mechanical methods Semiempirical quantum chemical methods Semiempirical quantum mechanical methods Semiempirical quantum methods Simulation methods quantum effects Simulation techniques quantum methods Statistical methods and quantum chaology Structure simulation models using quantum mechanical method Structure-activity methods quantum chemistry Surface-hopping method, nonadiabatic quantum Surface-hopping method, nonadiabatic quantum dynamics Surface-hopping method, nonadiabatic quantum potential energy surfaces The Diffusion Quantum Monte Carlo Method The Future of Quantum Mechanical Methods in Chemoinformatics The Methods of Quantum Chemistry The Realization of Direct Methods in Quantum Chemistry Theory quantum mechanics methods Thermodynamic properties, quantum fluids methods Using Quantum Mechanics Methods Variation method, in quantum Variational quantum Monte Carlo method Vibrational methods diffusion quantum Monte Carlo