Mike C. Payne mainly investigates Ab initio, Pseudopotential, Electronic structure, Molecular physics and Plane wave. His Ab initio research includes elements of Molecular dynamics, Wave function, Atomic physics, Computational science and Conjugate gradient method. His Pseudopotential study is associated with Quantum mechanics.
His Electronic structure study combines topics in areas such as Computational physics, Order of magnitude, Density functional theory and Ground state. His study looks at the relationship between Classical mechanics and topics such as Many-body problem, which overlap with Energy functional. The various areas that Mike C. Payne examines in his Theoretical physics study include Computer program, CASTEP and Topology.
His primary areas of study are Density functional theory, Ab initio, Pseudopotential, Condensed matter physics and Molecular dynamics. His work deals with themes such as Chemical physics and Statistical physics, which intersect with Density functional theory. His research investigates the link between Ab initio and topics such as Atomic physics that cross with problems in Atom.
The study incorporates disciplines such as Molecular physics, Computational physics and Silicon, Dangling bond in addition to Pseudopotential. His research in Condensed matter physics intersects with topics in Twist, Boundary and Germanium. His Molecular dynamics research includes themes of Quantum, Molecule and Classical mechanics.
Mike C. Payne focuses on Density functional theory, Linear scale, Quantum mechanics, Time-dependent density functional theory and Statistical physics. His studies in Density functional theory integrate themes in fields like Molecular physics, Electronic structure and Molecular geometry. His research in Electronic structure focuses on subjects like Valence, which are connected to Molecular dynamics.
Mike C. Payne has included themes like Dynamical mean field theory and Basis set in his Statistical physics study. The Work study combines topics in areas such as Electron energy loss spectroscopy, Pseudopotential, Condensed matter physics and Computational physics. His study in Potential energy surface is interdisciplinary in nature, drawing from both Implicit solvation and Computational science.
Density functional theory, Chemical physics, Time-dependent density functional theory, Molecule and Context are his primary areas of study. His Density functional theory research incorporates themes from Density matrix, Electronic structure, Statistical physics and Thermodynamics. His study in Thermodynamics is interdisciplinary in nature, drawing from both Ab initio, Natural bond orbital, Activation energy and Active site.
Mike C. Payne interconnects Computational chemistry, Molecular dynamics and Nanotechnology, Carbon nanotube in the investigation of issues within Chemical physics. His study on Time-dependent density functional theory also encompasses disciplines like
Eigenvalues and eigenvectors which is related to area like Order of magnitude, Computational complexity theory and Conjugate gradient method,
Solvatochromism which is related to area like Hybrid functional, Solvent models and Alizarin. His research on Molecule also deals with topics like
Dipole that intertwine with fields like Molecular physics, Nanorod, Atom, Charge density and Ab initio quantum chemistry methods,
Quantum which is related to area like Physical chemistry.
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First-principles simulation: ideas, illustrations and the CASTEP code
M D Segall;Philip J D Lindan;M J Probert;C J Pickard.
Journal of Physics: Condensed Matter (2002)
Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients
M. C. Payne;M. P. Teter;D. C. Allan;T. A. Arias.
Reviews of Modern Physics (1992)
First principles methods using CASTEP
Stewart J. Clark;Matthew D. Segall;Chris J. Pickard;Phil J. Hasnip.
Zeitschrift Fur Kristallographie (2005)
Periodic boundary conditions in ab initio calculations.
G. Makov;M. C. Payne.
Physical Review B (1995)
Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane‐wave study
V. Milman;B. Winkler;J. A. White;C. J. Pickard.
International Journal of Quantum Chemistry (2000)
Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons.
Albert P. Bartók;Mike C. Payne;Risi Kondor;Gábor Csányi.
Physical Review Letters (2010)
Population analysis of plane-wave electronic structure calculations of bulk materials
M. D. Segall;R. Shah;C. J. Pickard;M. C. Payne.
Physical Review B (1996)
Optimized and transferable nonlocal separable ab initio pseudopotentials
J. S. Lin;A. Qteish;M. C. Payne;V. Heine.
Physical Review B (1993)
Solution of Schrödinger's equation for large systems.
Michael P. Teter;Michael P. Teter;Michael C. Payne;Douglas C. Allan.
Physical Review B (1989)
THERMAL CONTRACTION AND DISORDERING OF THE AL(110) SURFACE
Nicola Marzari;David Vanderbilt;Alessandro De Vita;M. C. Payne.
Physical Review Letters (1999)
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