2019 - Fellow of the American Association for the Advancement of Science (AAAS)
2001 - Fellow of American Physical Society (APS) Citation For outstanding contributions to the development of accurate electronic structure theories and for innovative investigations of the structures, spectroscopy, and reactivity of clusters and surfaces
Krishnan Raghavachari mainly focuses on Atomic physics, Electronic correlation, Molecule, Electronic structure and Computational chemistry. His Atomic physics study incorporates themes from Ab initio, Electronegativity, Basis set and Ionization energy. Krishnan Raghavachari specializes in Electronic correlation, namely Quadratic configuration interaction.
His study in Molecule is interdisciplinary in nature, drawing from both Chemical physics, Fragment, Standard enthalpy of formation and Singlet state. Krishnan Raghavachari has included themes like Ab initio quantum chemistry methods, Molecular physics, Energy, Excitation and Ground state in his Electronic structure study. His studies in Computational chemistry integrate themes in fields like Mathematical physics, Statistical physics, Zero-point energy and Triatomic molecule.
Computational chemistry, Molecule, Electronic correlation, Atomic physics and Ab initio are his primary areas of study. His work carried out in the field of Computational chemistry brings together such families of science as Bond length, Inorganic compound, Thermochemistry, Molecular physics and Binding energy. His research in Molecule intersects with topics in Chemical physics, Crystallography, Standard enthalpy of formation, Fragmentation and Density functional theory.
Krishnan Raghavachari has researched Electronic correlation in several fields, including Configuration interaction, Gaussian orbital, Perturbation theory and Diatomic molecule. His Atomic physics study which covers Electronic structure that intersects with Electronegativity. The Ab initio study combines topics in areas such as Molecular orbital theory, Molecular orbital, Physical chemistry, Ground state and Infrared spectroscopy.
Krishnan Raghavachari mostly deals with Molecule, Density functional theory, Computational chemistry, Chemical physics and Crystallography. His Molecule research includes themes of Biomolecule, Molecular physics, Fragmentation and Intramolecular force. His Molecular physics research includes elements of Extrapolation and Analytical chemistry.
His Density functional theory research integrates issues from Hydrogen, Ethylene, Photochemistry, Reactivity and Implicit solvation. Particularly relevant to Spin contamination is his body of work in Computational chemistry. The study incorporates disciplines such as Inorganic chemistry, Cluster, Hydrogen bond, Ion and Oxidation state in addition to Crystallography.
Krishnan Raghavachari spends much of his time researching Molecule, Computational chemistry, Inorganic chemistry, Fragmentation and Density functional theory. His Molecule research is multidisciplinary, incorporating perspectives in Chemical physics, Tensor, Spectral line, Vibrational circular dichroism and Molecular physics. His Vibrational circular dichroism research incorporates themes from Projection, Atom and Atomic physics.
The concepts of his Molecular physics study are interwoven with issues in Intramolecular force and Analytical chemistry. His research integrates issues of Conformational isomerism, Organic reaction and Raman optical activity in his study of Computational chemistry. His work in Fragmentation covers topics such as Dimer which are related to areas like Pentamer and Basis set.
This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.
A fifth-order perturbation comparison of electron correlation theories
Krishnan Raghavachari;Gary W. Trucks;John A. Pople;Martin Head-Gordon.
Chemical Physics Letters (1989)
Quadratic configuration interaction. A general technique for determining electron correlation energies
John A. Pople;Martin Head‐Gordon;Krishnan Raghavachari.
Journal of Chemical Physics (1987)
Gaussian-2 theory for molecular energies of first- and second-row compounds
Larry A. Curtiss;Krishnan Raghavachari;Gary W. Trucks;John A. Pople.
Journal of Chemical Physics (1991)
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
Larry A. Curtiss;Krishnan Raghavachari;Paul C. Redfern;Vitaly Rassolov.
Journal of Chemical Physics (1998)
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
Larry A. Curtiss;Krishnan Raghavachari;Paul C. Redfern;John A. Pople.
Journal of Chemical Physics (1997)
Ideal hydrogen termination of the Si (111) surface
G. S. Higashi;Y. J. Chabal;G. W. Trucks;Krishnan Raghavachari.
Applied Physics Letters (1990)
Gaussian‐1 theory: A general procedure for prediction of molecular energies
John A. Pople;Martin Head‐Gordon;Douglas J. Fox;Krishnan Raghavachari.
Journal of Chemical Physics (1989)
GAUSSIAN-3 THEORY USING DENSITY FUNCTIONAL GEOMETRIES AND ZERO-POINT ENERGIES
Anwar G. Baboul;Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari.
Journal of Chemical Physics (1999)
Larry A. Curtiss;Paul C. Redfern;Krishnan Raghavachari.
Journal of Chemical Physics (2007)
Gaussian-2 theory using reduced Moller--Plesset orders
Larry A. Curtiss;Krishnan Raghavachari;John A. Pople.
Journal of Chemical Physics (1993)
If you think any of the details on this page are incorrect, let us know.
We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below: