Modern quantum chemistry : introduction to advanced electronic structure theory

By Attila Szabó, N. Ostlund. 1982

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Citations in the corpus

Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons. (2009, background): “Atomic scale modeling of materials is now routinely and widely applied, and encompasses a range of techniques from exact quantum chemical methods [1] through density functional theory (DFT) [2] and semiempirical quantum mechanics [3] to analytic interatomic potentials [4].”
Hybrid Quantum-Classical Algorithms and Quantum Error Mitigation (2020, background): “For example, it can be used to study chemical reaction dynamics, important for creating new drugs and new methodologies for mass production of beneficial materials [29, 84].”
Atomic multipoles: Electrostatic potential fit, local reference axis systems, and conformational dependence (2012, unknown): “© 2012 Wiley Periodicals, Inc. DOI: 10.1002/jcc.22996”
Variational Quantum Computation of Excited States (2018, background): “Its numerical solution enables properties of atoms, molecules and materials to be predicted, with farreaching applications in materials design, drug discovery and fundamental science [4].”
Emergence of magnetism in graphene materials and nanostructures (2010, methodology): “This mean-field model represents a variation of the unrestricted Hartree-Fock method (Szabo and Ostlund, 1982).”
A Chemist's Guide to Density Functional Theory (2000, methodology): “An excellent source for an in-depth discussion of many aspects of the HF approximation and more sophisticated techniques related to it is the book by Szabo and Ostlund, 1982.”
Sourcebook of parallel computing (2003, background): “The interested reader may wish to refer to the classic text by Szabo and Ostlund [906] for a more in-depth presentation of the material sketched in this section and for further pointers to the classic quantum chemistry literature.”
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions (2012, methodology): “Another avenue are the approaches of quantum chemistry, that start with HartreeFock theory [27].”
Lattice gauge theory simulations in the quantum information era (2016, background): “cular quantum ones, lie at the border of our current knowledge in many dierent eld of science, from very applied ones, as the electronic structure problem with impact on chemistry and drugs research [1], the development of quantum technologies [2, 3], or the quest for understanding and engineering n”
GAMESS as a free quantum-mechanical platform for drug research. (2012, methodology): “The molecular properties and geometries are obtained by solving the differential Schrödinger equation [12-14].”
Theory of variational quantum simulation (2018, methodology): “Variational simulation is a widely used technique in many-body physics [1–7] and chemistry [8–10].”