What is he best known for?
The fields of study he is best known for:
- Quantum mechanics
- Electron
- Algebra
His primary scientific interests are in Wave function, Computational chemistry, Quantum mechanics, Configuration interaction and Multireference configuration interaction.
His Wave function study necessitates a more in-depth grasp of Atomic physics.
His study looks at the relationship between Computational chemistry and fields such as Applied mathematics, as well as how they intersect with chemical problems.
His study in the field of Triatomic molecule, Diatomic molecule, Hartree–Fock method and Electronic correlation is also linked to topics like Quantum chemistry.
Peter J. Knowles interconnects Coupling, Variational perturbation theory and Transition dipole moment in the investigation of issues within Configuration interaction.
Dipole and Polarizability is closely connected to Complete active space in his research, which is encompassed under the umbrella topic of Multireference configuration interaction.
His most cited work include:
- An efficient internally contracted multiconfiguration–reference configuration interaction method (2846 citations)
- A second order multiconfiguration SCF procedure with optimum convergence (2271 citations)
- An efficient method for the evaluation of coupling coefficients in configuration interaction calculations (2085 citations)
What are the main themes of his work throughout his whole career to date?
His main research concerns Atomic physics, Quantum mechanics, Configuration interaction, Wave function and Potential energy.
His Atomic physics research incorporates themes from Ion, Ab initio and Ab initio quantum chemistry methods.
His Coupled cluster, Hamiltonian, Electronic correlation and Diatomic molecule study in the realm of Quantum mechanics connects with subjects such as Quantum chemistry.
His Configuration interaction study incorporates themes from Computational chemistry, Slater determinant, Applied mathematics and Transition dipole moment.
His Computational chemistry research is multidisciplinary, incorporating perspectives in Computational physics and Triatomic molecule.
His biological study spans a wide range of topics, including Fock space, Open shell, Atomic orbital, Electronic structure and Hartree–Fock method.
He most often published in these fields:
- Atomic physics (40.94%)
- Quantum mechanics (22.15%)
- Configuration interaction (20.81%)
What were the highlights of his more recent work (between 2015-2020)?
- Quantum mechanics (22.15%)
- Quantum chemistry (8.72%)
- Electron (7.38%)
In recent papers he was focusing on the following fields of study:
Peter J. Knowles mainly focuses on Quantum mechanics, Quantum chemistry, Electron, Potential energy and Hamiltonian.
His Quantum mechanics study integrates concerns from other disciplines, such as Path and Benchmark.
His Potential energy research incorporates elements of Quantum chemical, Vibration, Excited state, Universality and Ground state.
His Excited state study combines topics from a wide range of disciplines, such as Molecular physics and Complete active space.
The Ansatz study which covers Electronic correlation that intersects with Electronic structure.
His Coupled cluster research is multidisciplinary, incorporating elements of Activation energy and Atomic physics.
Between 2015 and 2020, his most popular works were:
- The Molpro quantum chemistry package. (37 citations)
- Quantum tunneling rates of gas-phase reactions from on-the-fly instanton calculations. (33 citations)
- Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence. (24 citations)
In his most recent research, the most cited papers focused on:
- Quantum mechanics
- Electron
- Algebra
Peter J. Knowles focuses on Rate of convergence, Reaction coordinate, Quantum chemistry, Quantum mechanics and Path.
He integrates many fields in his works, including Rate of convergence, Subspace topology, Hessian matrix, Iterative method, Applied mathematics and Nonlinear system.
His research on Reaction coordinate concerns the broader Computational chemistry.
Peter J. Knowles integrates many fields, such as Quantum chemistry and engineering, in his works.
His Quantum mechanics research includes themes of Surface and Benchmark.
His research integrates issues of Quantum electrodynamics, Instanton, Quantum tunnelling and Boltzmann constant in his study of Path.
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