Lisbon Academy of Sciences (Academia das Ciências de Lisboa)
His primary scientific interests are in Atomic physics, Potential energy surface, Potential energy, Ab initio and Diatomic molecule. António J. C. Varandas combines subjects such as van der Waals force, Molecule, Ab initio quantum chemistry methods, Triatomic molecule and Dissociation with his study of Atomic physics. António J. C. Varandas has researched Potential energy surface in several fields, including Electronic correlation, Physical chemistry, Thermodynamics, Reaction rate constant and Ground state.
António J. C. Varandas has included themes like Intersection, Geometry, Atom, Electronic structure and Polyatomic ion in his Potential energy study. His studies deal with areas such as Thermal, Inelastic scattering, Beam, Basis set and Stationary point as well as Ab initio. His research in Diatomic molecule intersects with topics in Inorganic compound, Zero-point energy and Van der Waals molecule.
António J. C. Varandas mostly deals with Atomic physics, Potential energy surface, Ab initio, Potential energy and Basis set. His work deals with themes such as Molecule, Ab initio quantum chemistry methods, Diatomic molecule and Dissociation, which intersect with Atomic physics. His work carried out in the field of Potential energy surface brings together such families of science as Adiabatic process, Thermodynamics, Reaction rate constant, Molecular physics and Ground state.
His Ab initio study also includes
António J. C. Varandas spends much of his time researching Potential energy surface, Atomic physics, Basis set, Ab initio and Extrapolation. His Potential energy surface research incorporates themes from Range, Computational physics, Reaction rate constant, Potential energy and Ground state. His Atomic physics research includes themes of Quantum dynamics and Molecule, Ab initio quantum chemistry methods.
His Basis set research is multidisciplinary, incorporating elements of Ion, Solvent effects, Triplet state and Thermodynamics. His Ab initio research incorporates elements of Jahn–Teller effect, Molecular physics, Conical surface and Stationary point. His studies in Extrapolation integrate themes in fields like Electronic correlation, Statistical physics, Coupled cluster, Limit and Density functional theory.
Atomic physics, Extrapolation, Basis set, Basis and Potential energy surface are his primary areas of study. The Atomic physics study combines topics in areas such as Quantum dynamics and Ab initio. The concepts of his Ab initio study are interwoven with issues in Hydrogen and Molecule.
His Extrapolation study integrates concerns from other disciplines, such as Electronic correlation and Limit. While the research belongs to areas of Basis, António J. C. Varandas spends his time largely on the problem of Statistical physics, intersecting his research to questions surrounding Perturbation theory and Energy. The study incorporates disciplines such as Range, Translational energy, Ab initio quantum chemistry methods, Atmospheric reactions and Reaction rate constant in addition to Potential energy surface.
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A double many‐body expansion of the two lowest‐energy potential surfaces and nonadiabatic coupling for H3
Antonio J. C. Varandas;Antonio J. C. Varandas;Franklin B. Brown;Franklin B. Brown;C. Alden Mead;Donald G. Truhlar.
Journal of Chemical Physics (1987)
Recalibration of a single-valued double many-body expansion potential energy surface for ground-state hydroperoxy and dynamics calculations for the oxygen atom + hydroxyl .fwdarw. oxygen + hydrogen atom reaction
M. R. Pastrana;L. A. M. Quintales;J. Brandao;A. J. C. Varandas.
The Journal of Physical Chemistry (1990)
Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations
A Hellman;E.J. Baerends;M Biczysko;T Bligaard.
Journal of Physical Chemistry B (2006)
A realistic double many-body expansion (DMBE) potential energy surface for ground-state O3 from a multiproperty fit to ab initio calculations, and to experimental spectroscopic, inelastic scattering, and kinetic isotope thermal rate data
A.J.C. Varandas;A.A.C.C. Pais.
Molecular Physics (1988)
Extrapolating to the one-electron basis-set limit in electronic structure calculations
A. J. C. Varandas.
Journal of Chemical Physics (2007)
Basis-set extrapolation of the correlation energy
A. J. C. Varandas.
Journal of Chemical Physics (2000)
Potential model for diatomic molecules including the united-atom limit and its use in a multiproperty fit for argon
António J. C. Varandas;José Dias da Silva.
Journal of the Chemical Society, Faraday Transactions (1992)
Quasiclassical trajectory calculations of the thermal rate coefficients for the reactions H(D)+O2→OH(D)+O and O+OH(D)→O2+H(D) as a function of temperature
A. J. C. Varandas;J. Brandão;M. R. Pastrana.
Journal of Chemical Physics (1992)
Excitation function for H+O2 reaction: A study of zero‐point energy effects and rotational distributions in trajectory calculations
A. J. C. Varandas.
Journal of Chemical Physics (1993)
Energy switching approach to potential surfaces: An accurate single‐valued function for the water molecule
A. J. C. Varandas.
Journal of Chemical Physics (1996)
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