Charge-conserving electron density averaging for a set of nuclear configurations
From MaRDI portal
Publication:843279
DOI10.1007/s10910-008-9360-0zbMath1243.81240OpenAlexW2039785539MaRDI QIDQ843279
Publication date: 12 October 2009
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-008-9360-0
idempotencyapproximate density matricescharge invarianceelectron density averagingrange of nuclear configurations
Cites Work
- Generalized chirality and symmetry deficiency
- A new computational microscope for molecules: High resolution MEDLA images of taxol and HIV-1 protease, using additive electron density fragmentation principles and fuzzy set methods
- Macromolecular density matrices and electron densities with adjustable nuclear geometries
- The holographic principle for latent molecular properties
- Mathematical problems of nuclear configuration averaging
- Some Recent Advances in Density Matrix Theory
- The molecular orbital theory of chemical valency VIII. A method of calculating ionization potentials
- Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
This page was built for publication: Charge-conserving electron density averaging for a set of nuclear configurations
