The potential energy curve for the X1Σg+ state of Mg2 calculated with many‐body perturbation theory

Keywords

Perturbation theory (quantum mechanics), Physics, Degenerate energy levels, Quantum mechanics, Electronic correlation

References

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• Use of some predominant intermolecular (or interatomic) energy contributions to characterize van der waals molecules. Ab initio calculations on two neon atomsJ. Prissette, E. Kochanski — 1977
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• A new description of interatomic and intermolecular interactionsArthur Amos, Jeremy I. Musher — 1967
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• A new method for large-scale Cl calculationsB. Roos — 1972
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• Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B H 3 MoleculeJosef Paldus, Jakub Čı́žek, Isaiah Shavitt — 1972
• Vibrational levels near dissociation in Mg2 and long‐range forcesKwong C. Li, William C. Stwalley — 1973
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Cited by

• The potential surface of NCNOCecilia Björkman, Paul S. Bagus — 1982
• Ab initio calculations of intermolecular potentialsF. Spiegelmann, Jean‐Paul Malrieu — 1980
• Mo/ller–Plesset treatment of electron correlation effects in (HOHOH)−M. M. Szczȩśniak, Steve Scheiner — 1982
• Perturbation theory of the electron correlation effects for atomic and molecular properties IV. Dipole polarizability of the fluoride ionGeerd H. F. Diercksen, Andrzej J. Sadlej — 1982
• The ground-state potential curve of the beryllium dimerMargareta R. A. Blomberg, Per E. M. Siegbahn, Björn O. Roos — 2009
• Møller–Plesset perturbation theory: from small molecule methods to methods for thousands of atomsDieter Cremer — 2011
• Quasidegenerate perturbation theories. A canonical van Vleck formalism and its relationship to other approachesIsaiah Shavitt, Lynn T. Redmon — 1980
• Single reference Coupled Cluster treatment of nearly degenerate problems: Cohesive energy of antiferromagnetic lattices of spin 1 centersJean‐Paul Malrieu — 2012
• Many‐body perturbation theory electronic structure calculations for the methoxy radical. I. Determination of Jahn–Teller energy surfaces, spin–orbit splitting, and Zeeman effectGary D. Bent, George F. Adams, Ralph H. Bartram — 1982
• Equilibrium geometry of isocyanomethylene (HCNC) and comparison to the troublesome isomer cyanomethylene (HCCN)Charles B. Kellogg, John Morrison Galbraith, Joseph E. Fowler — 1994
• Nuclear spin–spin coupling constants evaluated using many body methodsHideo Sekino, Rodney J. Bartlett — 1986
• Highly correlated systems: Structure, binding energy and harmonic vibrational frequencies of ozoneKrishnan Raghavachari, Gary W. Trucks, John A. Pople — 1989
• MBPT studies of van der Waals molecules. III. The reliability of apparently accurate calculations for the magnesium dimerGeerd H. F. Diercksen, Vladimı́r Kellö, Andrzej J. Sadlej — 1986
• Self-consistent perturbative evaluation of ground-state energies: Application to cohesive energies of spin latticesMohamad Al Hajj, Jean‐Paul Malrieu — 2004
• Application of quadratic CI with singles, doubles, and triples (QCISDT): An attractive alternative to CCSDTZhi He, Elfi Kraka, Dieter Cremer — 1996
• Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through kryptonAngela K. Wilson, David E. Woon, Kirk A. Peterson — 1993
• Optimized partitioning in perturbation theory: Comparison to related approachesPéter R. Śurján, Ágnes Szabados — 2000
• Two new unitary-invariant and size-consistent perturbation theoretical approaches to the electron correlation energyReinhold F. Fink — 2006
• Theoretical Studies on Excited States of a Phenolate Anion in the Environment of Photoactive Yellow ProteinZhi He, Charles H. Martin, Robert R. Birge — 2000
• Electron correlation and properties of many‐electron systemsGeerd H. F. Diercksen, Björn O. Roos, Andrzej J. Sadlej — 2009

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