What does LAOM mean in UNCLASSIFIED
LAOM stands for Localized Atomic Orbital Method. It is a computational electronic structure method used to predict physical and chemical properties. This method is particularly valuable in providing insights into the nature of chemical bondings, such as bond order, bond angles and interatomic distances. The LAOM approach is based on localized atomic orbitals which allow for a description of charge migration and delocalization effects at low computational cost. Due to its low cost, the LAOM method has become increasingly popular in modeling molecular properties such as relative energy levels, electron densities and optical spectra.
LAOM meaning in Unclassified in Miscellaneous
LAOM mostly used in an acronym Unclassified in Category Miscellaneous that means Localized Atomic Orbital Method
Shorthand: LAOM,
Full Form: Localized Atomic Orbital Method
For more information of "Localized Atomic Orbital Method", see the section below.
What is LAOM
The Localized Atomic Orbital Method (LAOM) is an approximate method of solving the quantum mechanical equations that describe the behavior of electrons in atoms and molecules. It combines aspects of both classical force fields and quantum mechanics by employing localized atomic orbitals that represent electron cloud reorganization during chemical bonding.
Unlike traditional quantum mechanical methods, which use delocalized basis functions to describe the system's electronic wave function, this method uses localized basis functions that are calculated from a total energy minimization procedure applied directly to atomic orbitals. This approach enables accurate computations with fast convergence times at relatively low computational costs compared to other goal-oriented ab initio methods.
The resulting molecular orbitals (MOs) are determined through a linear combination of atomic orbitals (LCAO) which describes the effects of orbital overlap between atoms within a molecule or between different molecules in a condensed phase system. The overall accuracy for this method is constrained by the iterative scheme employed to optimize the localization lengths used in constructing MOs.
Benefits of LAOM
The main benefit of using Localized Atomic Orbital Method (LAOM), compared with other quantum mechanical methods, lies in its ability to improve accuracy while reducing computing time and memory resources required by more expensive methods such as Hartree–Fock or Density Functional Theory (DFT). Unlike those more expensive ab initio methods, LAOM utilizes short range correlation effects between electrons through an iterative approach which dramatically reduces the number of highly correlated integrals needed for an accurate model. Additionally, due to its quick convergence rate it can be used even when large numbers of atoms are present within molecules or systems with complex topologies such as Phase-Field models where many local minima or transition states often exist on potential energy surfaces associated with molecules or clusters.
In conclusion, due to their low computational costs combined with their accuracy near Hartree–Fock level results LAOM calculations have gained popularity over time as they can be used for applications involving large numbers of atoms without sacrificing quality outputs or speed up simulations for specific small scale applications appropriately tuned in terms
Essential Questions and Answers on Localized Atomic Orbital Method in "MISCELLANEOUS»UNFILED"
What is Localized Atomic Orbital Method (LAOM)?
Localized Atomic Orbital Method (LAOM) is a mathematical technique used to compute and analyze atomic orbitals. It provides a good insight into the behavior of an atom or molecule in terms of its electronic wave function. It can be used to determine the energy levels and properties of electrons, which gives us a better understanding of chemical reactions and physical processes.
How can LAOM help with chemical calculations?
Localization of atomic orbitals allows us to accurately calculate the energy levels, bond lengths, electron densities, dipole moments etc. in molecules, so it’s very helpful for analyzing any kind of chemical reaction or process.
When was LAOM developed?
The Localized Atomic Orbital Method was first developed by John Pople and his collaborators in 1978 during their work on computational quantum chemistry.
What are the advantages of using LAOM for calculations?
Using LAOM can reduce the amount of time needed to make numerical calculations compared to traditional methods and also produce more accurate results due to improved accuracy in modeling electron motion in molecular systems. It also enables faster computation times when dealing with larger molecules.
What types of calculations can be performed using LAOM?
The localized atomic orbital method has been successfully applied in various fields such as spectroscopy, nuclear magnetic resonance imaging, electronic structure theory, material science, as well as many other areas related to quantum chemistry.
Does LAOM require special software for performing calculations?
Yes, specialized software packages are available that use localized atomic orbital methods to facilitate molecular structure calculation and analysis tasks such as NBOViewer by Informal Systems Inc., Gaussian 09 by Gaussian Inc., and Quantum Chemistry Package by Accelrys Software Incorporated.
Is it difficult to learn how to use LAOM effectively?
No, although it may take some time if you are new to quantum chemistry principles or unfamiliar with numerical computing techniques. However most software packages provide detailed tutorials, examples and technical support resources that help users become familiar with the basics quickly enough even if they have no prior experience with this type of software program.
Are there any limitations when using LAOM for calculations?
Yes, one key limitation is that this method is numerically intensive due its reliance on large amounts data required for proper calculation results which makes it unsuitable for large molecular systems or those involving lengthy calculations such as full spectrum simulations.