Theory Overview

Millsian software is built on a new classical approach to solving atoms and molecules. This approach is significantly different from the quantum mechanical model of the atom and the molecule.

What are atoms and molecules according to Millsian theory?

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	According to Millsian theory, bound electrons are discrete spherical shells of charge that completely surround the nucleus. These shells have a complex pattern of motion on the surface that gives rise to electron spin. Bound electrons obey classical physics, and are stable according to the nonradiation condition.
	In multi-electron atoms, bound electrons form a series of concentric shells, each of which may contain several electrons. Each shell is an Atomic Orbital (AO) designated traditionally by s, p, d, f, etc. The configuration of shells gives rise to an energy minimum, and Maxwellian forces between them determine their radii.
	In molecules, the electrons stretch over two nuclei to form a prolate spheroidal shell with the nuclei at the foci, called a Molecular Orbital (MO). The charge builds up at the ends of the bond, closer to the nuclei, reducing the total energy of the system. The MO shell sometimes completely surrounds the AO shells, but more often bridges between them.

View more Examples of Molecules generated with Millsian Software. Or, download a free trial of Millsian Software, with an extensive pre-built library.

How does this effect molecular modeling technology?

According to Millsian theory, atoms and bonds are made up of discrete surfaces of negative charge, not probability-density clouds. This gives Millsian the ability to calculate and render the exact charge distribution profiles for molecules of any size and complexity.

Further, electrons are localized in molecules to specific regions, i.e. functional groups which act as building blocks, or independent units, in larger structures. Using two basic equations, Millsian has solved the important functional groups of chemistry, allowing molecules of arbitrary size and complexity to be modeled trivially and almost instantly on a personal computer.

To learn about how Millsian translates the underlying theory into a molecular modeling product, please consult the papers:

Millsian 2.0: A Molecular Modeling Software for Structures, Charge Distributions and Energetics of Biomolecules, W. Xie, R.L. Mills, W. Good, A. Makwana, B. Holverstott, N. Hogle - 08/18/09

Total Bond Energies of Exact Classical Solutions of Molecules Generated by Millsian 1.0 Compared to Those Computed Using Modern 3-21G and 6-31G* Basis Sets - R.L. Mills, B. Holverstott, W. Good, N. Hogle, A. Makwana - 07/23/09

The Nature of the Chemical Bond Revisited and an Alternative Maxwellian Approach - R.L. Mills, Physics Essays, Vol. 17, No. 3, September (2004), pp. 342-389. View accompanying spreadsheets.

How has Millsian theory been validated?

Millsian theory generates predictions for thousands of energies, distances, angles, and dipole moments that have been rigorously compared to experimental data. This includes comparison to available data for over 800 molecules, sampling all major functional groups and compositions of matter.

These values match experiment to within experimental uncertainty, often to much higher accuracy than possible with prior theory. Some atomic predictions (such as the excited states of helium, ionization energies of multi-electron atoms, state lifetimes and line intensities of hydrogen) have never been adequately calculated before.

Further, predicted values are deduced using closed-form equations containing fundamental constants only (no adjustable parameters or empirical corrections). The accuracy of Millsian predictions are limited only by propagation of error of the fundamental constants.

For an overview of Millsian predictions versus experimental values, please consult:

Molecular and Atomic Physics Summary Tables (PDF)

Total Bond Energies of Exact Classical Solutions of Molecules Generated by Millsian 1.0 Compared to Those Computed Using Modern 3-21G and 6-31G* Basis Sets - R.L. Mills, B. Holverstott, W. Good, N. Hogle, A. Makwana - 07/23/09

Where can I learn more about Millsian Theory?

Millsian theory, The Grand Unified Theory of Classical Physics, has been documented in books, articles, and computational spreadsheets, much of which is available for free download on the Advanced Resources page. Discussion regarding the theory also occurs at the Society for Classical Physics Forum.

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