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11 relations: Basis set (chemistry), Chemical Reviews, Energy, Hamiltonian (quantum mechanics), International Journal of Quantum Chemistry, Journal of Chemical Physics, Journal of Chemical Theory and Computation, Journal of Computational Chemistry, List of quantum chemistry and solid-state physics software, Projection (linear algebra), Quantum chemistry.
Basis set (chemistry)
A basis set in theoretical and computational chemistry is a set of functions (called basis functions) that is used to represent the electronic wave function in the Hartree–Fock method or density-functional theory in order to turn the partial differential equations of the model into algebraic equations suitable for efficient implementation on a computer.
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Chemical Reviews
Chemical Reviews is peer-reviewed scientific journal published twice per month by the American Chemical Society.
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Energy
In physics, energy is the quantitative property that must be transferred to an object in order to perform work on, or to heat, the object.
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Hamiltonian (quantum mechanics)
In quantum mechanics, a Hamiltonian is an operator corresponding to the total energy of the system in most of the cases.
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International Journal of Quantum Chemistry
The International Journal of Quantum Chemistry is a peer-reviewed scientific journal publishing original, primary research and review articles on all aspects of quantum chemistry, including an expanded scope focusing on aspects of materials science, biochemistry, biophysics, quantum physics, quantum information theory, etc.
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Journal of Chemical Physics
The Journal of Chemical Physics is a scientific journal published by the American Institute of Physics that carries research papers on chemical physics.
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Journal of Chemical Theory and Computation
The Journal of Chemical Theory and Computation is a peer-reviewed scientific journal, established in 2005 by the American Chemical Society.
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Journal of Computational Chemistry
The Journal of Computational Chemistry is a peer-reviewed scientific journal published since 1980 by John Wiley & Sons.
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List of quantum chemistry and solid-state physics software
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry.
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Projection (linear algebra)
In linear algebra and functional analysis, a projection is a linear transformation P from a vector space to itself such that.
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Quantum chemistry
Quantum chemistry is a branch of chemistry whose primary focus is the application of quantum mechanics in physical models and experiments of chemical systems.
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References
[1] https://en.wikipedia.org/wiki/Basis_set_superposition_error
