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Coupled-cluster Based Methods for Excited State Energies and Gradients

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Coupled-cluster Based Methods for Excited State Energies and Gradients

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Multiconfigurational Quantum Chemistry

-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.;

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Electronic Structure Calculations

applications for the most widely used electronic structure methods. The book covers all commonly used basis sets including localized Gaussian and;

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Recent Progress in Coupled Cluster Methods

eighties. With the help of more powerful computers the results of coupled-cluster approaches started to yield more and more interesting results;

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Molecular Electronic-Structure Theory

* Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling;

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Cluster Analysis and Applications

graduate students and experts using methods of cluster analysis and applications in various fields. Suitable for an introductory course on cluster;

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Cluster Analysis and Applications

graduate students and experts using methods of cluster analysis and applications in various fields. Suitable for an introductory course on cluster;

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State of The Art of Molecular Electronic Structure Computations: Correlation Methods, Basis Sets and More

for computational spectroscopy, Potential energy curves for the NaH molecule and its cation with the cock space coupled cluster method, and;

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Morphogen Gradients

in space and time, and this volume serves as a practical, hands-on guide to the field. Written for the highly successful Methods in Molecular;

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Introduction to Computational Chemistry

extensive DFT functionals, excited states and time dependent molecular properties * Accelerated Molecular Dynamics methods * Tensor decomposition;

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Hydrogen Bonding Research In Photochemistry, Photobiology, And Optoelectronic Materials

, photobiology, and photophysics. Thus, the hydrogen bond in an excited state is a key topic for understanding the excited-state properties, especially;

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Cluster based Localization and Tracking in Ubiquitous Computing Systems

art in localization and tracking in ubiquitous computing systems focusing on cluster-based schemes. Additionally, existing techniques for;

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Many-Body Methods In Chemistry & Physics

Coupled-Cluster theories (CC), the authors present a simple, clear, unified approach to describe the mathematical tools and diagrammatic;

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Handbook of Cluster Analysis

describes how well data is grouped around centroids, dissimilarity-based methods, mixture models and partitioning models, and clustering methods;

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Spatial Cluster Modelling

sampling of cluster processes, partitioning in space and space-time, spatial and spatio-temporal process modelling, nonparametric methods for;

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Nonlinear Dynamical Systems with Self-Excited and Hidden Attractors

This book highlights the latest findings on nonlinear dynamical systems including two types of attractors: self-excited and hidden;

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Machine Learning Methods for Visual Object Detection

Sparsification) and learning methods (Latent and Non-Latent Support Vector Machines) for the problem of object detection. These methods are presented;

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Theoretical Chemistry for Electronic Excited States

, and non-adiabatic dynamics, have been brought together into one volume. Theoretical Chemistry for Electronic Excited States is aimed at both;

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Quantum Chemistry and Dynamics of Excited States

An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and;

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Fe-S Cluster Enzymes Part A

reporters to track Fe-S cluster assembly and transfer reactions, Mechanism-based strategies for structural characterization of radical SAM reaction;

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Computational Methods in Photochemistry

guidelines and examples for the modeling of excited states and describes some of the latest approaches in the computational modeling;

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Hybridized and Coupled Nanogenerators

to improve performance Reviews various multi-effects coupled nanogenerators and their potential applications Written for materials;

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Modern Algorithms of Cluster Analysis

. The book explains feature-based, graph-based and spectral clustering methods and discusses their formal similarities and differences;

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Advances in Quantum Chemistry

orbital basis sets compete with explicitly correlated ones for few-electron systems?, Converging high-level equation-of-motion coupled-cluster;

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G Protein Coupled Receptors

, structure-based virtual screening, and automation-friendly high throughput assays for identification of pharmacoperone drugs. Continues the;

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Real-time Biomolecular Simulations

Computational methods for calculating energies and forces Various techniques for sampling, calculating, and performing simulations INSIDE Real-Time;

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