WorldCat Identities

Quantum Theory Project

Overview
Works: 22 works in 23 publications in 1 language and 220 library holdings
Genres: Conference papers and proceedings 
Publication Timeline
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Most widely held works by Quantum Theory Project
Linear algebra for quantum theory by Per-Olov Löwdin( Book )

2 editions published in 1998 in English and held by 194 WorldCat member libraries worldwide

Linear Algebra for Quantum Theory offers a survey of those aspects of set theory and the theory of linear spaces and their mappings that are indispensable to the study of quantum theory. Unlike more conventional treatments, this text postpones its discussion of the binary product concept until later chapters, thus allowing many important properties of the mappings to be derived without it. Ideal for advanced undergraduate and graduate students in theoretical and computational chemistry and physics, Linear Algebra for Quantum Theory provides the mathematical means necessary to access and understand the complex world of quantum theory
Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Statistics, held at Sanibel Island, Florida, January 19-25, 1975 by Molecular, and Solid State Theory and Quantum Statistics International Symposium on Atomic( Book )

1 edition published in 1974 in English and held by 4 WorldCat member libraries worldwide

Proceedings of the International Symposium on Atomic, Molecular, and Solid-State Theory and Quantum Biology : held at Sanibel Island, Florida, January 19-24, 1970 by Molecular, and Solid State Theory and Quantum Biology International Symposium on Atomic( Book )

1 edition published in 1971 in English and held by 3 WorldCat member libraries worldwide

Identification and synthesis of high nitrogen propellants by Rodney J Bartlett( Book )

1 edition published in 2002 in English and held by 1 WorldCat member library worldwide

(SOME HIGHLlGHTS OF OUR RECENT WORK - = Provided the reference theoretical results required in the identification of the transient N4 Molecule5. = Developed new coupled-cluster methods for obtaining accurate Raman intensities, which are crucial to the identification of many polynitrogen species 6. = Showed that it is unlikely to be able to synthesize N4 with only one of two molecules excited Both need to be excited into either triplet or quintet states and caused to collide 9 = Demonstrated that an ionic lattice composed of N5 + and N3- is not likely to exist 8. = Proposed that the next target for the DARPA program should be to synthesize the pentazole anion, N5-, the inorganic benzene' 4,6. =Predicted the properties of the pentazole anion using our high level couple-cluster methods, including its energetics, structure, vibrational frequencies, and IR and Raman intensities, and its UV-vis (electronic excited state) spectrum 6. Suggested that N5+ and N5- are likely to be able to co-exist in an ionic lattice, further recommending the synthesis of the anion 10. =Performed a large number of high level quantum chemical calculations to survey all stable purely nitrogen species, from N2 to Nl0 and some larger species, their cations and anions. We provide the vibrational frequencies, IR and Raman intensities for all, and for selected molecules, excited and ionized state information. This information is collected into a Compendium that can be downloaded from my web page 11. =Recommended that we seriously consider synthesis of the N6O3 molecule, which by virtue of its three coordinate covalent bonds to oxygen, permits the long sough N6 pseudo-benzene ring to form. We report detailed studies of its activation barrier and properties in a recent paper 12
A calculation of the isotropic and anisotropic spectral moments of the dipole oscillator strength distribution of N₂ by G. H Diercksen( Book )

1 edition published in 1991 in English and held by 1 WorldCat member library worldwide

DAAL03-91-G-0119
On the orbital implementation of the kinetic theory of stopping by Jens Oddershede( Book )

1 edition published in 1989 in English and held by 1 WorldCat member library worldwide

New AB initio based density functional methods for molecules, polymers, and crystals by Rodney J Bartlett( Book )

1 edition published in 2000 in English and held by 1 WorldCat member library worldwide

Abstract: My efforts in the Density Functional Theory (DFT) project of Dr. Bartlett's research group have been limited to the implementation of analytical energy gradients with respect to nuclear displacement in ACES2. The most immediate benefit of this work is analytical geometry optimizations and finite-difference vibrational frequencies with analytical gradients
The quadrupole polarizability and spectral moments of the quadrupole oscillator strength distribution of N₂ by Jan Geertsen( Book )

1 edition published in 1990 in English and held by 1 WorldCat member library worldwide

Coupled cluster methods for molecular calculations by Rodney J Bartlett( Book )

1 edition published in 1984 in English and held by 1 WorldCat member library worldwide

Stopping of swift projectiles in material thin films: hydrogen by J. Z Wu( Book )

1 edition published in 1991 in English and held by 1 WorldCat member library worldwide

Theoretical and numerical prediction of stopping properties of counterpart thin films and solids by John R Sabin( Book )

1 edition published in 1991 in English and held by 1 WorldCat member library worldwide

During the grant period, significant progress has been made on the problem of the stopping (linear energy transfer) of swift, charged particles in matter. In particular, the electronic structure of the ultra thin foils have been determined. Their stopping has been calculate. These pilot calculations have indicated that further work along these lines will produce useful results
Ionic precursors of soot-- a combined experimental-theoretical approach. J. Eyler by J Eyler( Book )

1 edition published in 1988 in English and held by 1 WorldCat member library worldwide

F08635-83-C-0136
Metastable Molecules in Ground and Excited States: Molecular Design with Theory by Rodney J Bartlett( Book )

1 edition published in 2004 in English and held by 1 WorldCat member library worldwide

Highlights from fiscal 04 include: Determined the optimum structure and vibrational frequencies for a polymeric nitrogen species; Explored a variety of oxygen substituted nitrogen molecules where cooreinate covalent bonds to 0 are introduced; Finalized studies of azacubanes and nitrozacubane; Did a study of the NO dimer in its ground and excited states
On Metastable Molecules in Ground and Excited States: Theory Development, Implementation and Applications by Rodney J Bartlett( Book )

1 edition published in 2004 in English and held by 1 WorldCat member library worldwide

Develop new theory based upon coupled-cluster theory, density functional theory, and density matrix functional theory to more accurately and easily describe the structure, spectra, and reactions of molecules. Implement these new methods into general purpose computer programs, such as ACES II, to enable their routine application by non-experts to problems of their interest. Use these methods to provide numerical results for problems pertinent to AFOSR
A comment on the abstraction of mean excitation energies from experimental reduced stopping powers by John R Sabin( Book )

1 edition published in 1989 in English and held by 1 WorldCat member library worldwide

Graphite Di-layers and the interstellar polycyclic aromatic hydrocarbon hypothesis by S. B Trickey( Book )

1 edition published in 1988 in English and held by 1 WorldCat member library worldwide

ARO-24783.7-PH
Theory and implementation of the MBPT (many-body perturbation theory) density matrix: an application to one-electron properties by Gary W Trucks( Book )

1 edition published in 1988 in English and held by 1 WorldCat member library worldwide

Metastable molecules in ground and excited states : theory development, implementation and applications by Rodney J Bartlett( Book )

1 edition published in 2000 in English and held by 1 WorldCat member library worldwide

Development of new quantum theory for the accurate description of molecular structure and spectra. Implementation of this new theory into general purpose computer programs (ACES II) to make it possible for many investigators, besides ourselves, to readily apply these new methods to problems of their interest. Application of these new methods to high energy, density molecules, assessing their energy content, stability, possible synthetic paths, activation barriers, and providing spectroscopic fingerprints for identification
 
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Audience level: 0.64 (from 0.63 for Linear alg ... to 0.87 for Theoretica ...)

Linear algebra for quantum theory
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Alternative Names
Quantum Theory Project

Quantum Theory Project for Research in Atomic, Molecular, and Solid-State Theory

University of Florida Department of chemistry and physics Quantum theory project

University of Florida Quantum theory project

University of Forida Quantum Theory Project for Research in Atomic, Molecular, and Solid-State Theory

Languages
English (20)