Quantum Theory Project
Overview
Works:  22 works in 23 publications in 1 language and 220 library holdings 

Genres:  Conference papers and proceedings 
Publication Timeline
.
Most widely held works by
Quantum Theory Project
Linear algebra for quantum theory by
PerOlov 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
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 SolidState Theory and Quantum Statistics, held at Sanibel
Island, Florida, January 1925, 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
1 edition published in 1974 in English and held by 4 WorldCat member libraries worldwide
Proceedings of the International Symposium on Atomic, Molecular, and SolidState Theory and Quantum Biology : held at Sanibel
Island, Florida, January 1924, 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
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 coupledcluster 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 couplecluster methods, including its energetics, structure, vibrational frequencies, and IR and Raman intensities, and its UVvis (electronic excited state) spectrum 6. Suggested that N5+ and N5 are likely to be able to coexist 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 pseudobenzene ring to form. We report detailed studies of its activation barrier and properties in a recent paper 12
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 coupledcluster 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 couplecluster methods, including its energetics, structure, vibrational frequencies, and IR and Raman intensities, and its UVvis (electronic excited state) spectrum 6. Suggested that N5+ and N5 are likely to be able to coexist 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 pseudobenzene 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
DAAL0391G0119
1 edition published in 1991 in English and held by 1 WorldCat member library worldwide
DAAL0391G0119
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
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 finitedifference vibrational frequencies with analytical gradients
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 finitedifference 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
1 edition published in 1990 in English and held by 1 WorldCat member library worldwide
Proceedings of the International Symposium on the Application of Fundamental Theory to Problems of Biology and Pharmacology,
held at the Ponce de Leon Resort, St. Augustine, Florida, February 25  March 3, 2000(
Book
)
1 edition published in 2000 in English and held by 1 WorldCat member library worldwide
1 edition published in 2000 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
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
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
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 experimentaltheoretical approach. J. Eyler by
J Eyler(
Book
)
1 edition published in 1988 in English and held by 1 WorldCat member library worldwide
F0863583C0136
1 edition published in 1988 in English and held by 1 WorldCat member library worldwide
F0863583C0136
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
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 coupledcluster 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 nonexperts to problems of their interest. Use these methods to provide numerical results for problems pertinent to AFOSR
1 edition published in 2004 in English and held by 1 WorldCat member library worldwide
Develop new theory based upon coupledcluster 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 nonexperts 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
1 edition published in 1989 in English and held by 1 WorldCat member library worldwide
Graphite Dilayers 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
ARO24783.7PH
1 edition published in 1988 in English and held by 1 WorldCat member library worldwide
ARO24783.7PH
Theory and implementation of the MBPT (manybody perturbation theory) density matrix: an application to oneelectron properties by
Gary W Trucks(
Book
)
1 edition published in 1988 in English and held by 1 WorldCat member library worldwide
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
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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Associated Subjects
Algebras, Linear Atomic theory Cations Chemistry, Physical and theoretical Cosmic grains Crystals Dipole moments Electron configuration Electronic structure Fuel Hydrogen Interstellar molecules Ion cyclotron resonance spectrometry Kinetic theory of matter Manybody problem Molecular biology Molecular theory Molecules Nitrogen Nuclear excitation Nuclear physics Orbital mechanics Polarizability (Electricity) Polymers Quadrupole moments Quantum biochemistry Quantum chemistry Quantum pharmacology Quantum statistics Quantum theoryMathematics Rocket engines Rockets (Aeronautics)Fuel Set theory Solids Solid state chemistry Soot Spectral energy distribution Stopping power (Nuclear physics) Thin films Vector spaces
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Alternative Names
Quantum Theory Project
Quantum Theory Project for Research in Atomic, Molecular, and SolidState 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 SolidState Theory
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