Titlebook: Basis Sets in Computational Chemistry; Eva Perlt Book 2021 Springer Nature Switzerland AG 2021 quantum chemistry.wave function.basis sets.

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Adaptable Gaussian Bases for Quantum Dynamics of the Nuclei,veral approaches to constructing compact Gaussian bases, scalable to multidimensional systems and, in principle, yielding exact quantum dynamics: thawed Gaussian wavepacket?dynamics, time-independent quasi-random distributed Gaussian bases, and time-dependent Gaussian bases guided by quantum traject

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Local Orbitals in Quantum Chemistry,concept of bonding and antibonding local orbitals. We describe here the main procedures that can be used to obtain localized orbitals. After a brief description of the underlying formalism, the different algorithms are compared through the application to simple systems. It is possible, in this way,

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Basis Sets for Correlated Methods, is introduced, and the common strategies to overcome it, in wave function and density functional theories, are discussed in a context relevant to the development of basis sets. Emphasis is placed on other important considerations regarding basis sets such as contraction schemes, valence versus core

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