WorldCat Identities

Jørgensen, Poul 1944-

Overview
Works: 52 works in 176 publications in 2 languages and 1,572 library holdings
Genres: Conference papers and proceedings 
Roles: Author, Editor, Other, Conductor
Publication Timeline
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Most widely held works by Poul Jørgensen
Molecular electronic-structure theory by Trygve Helgaker( Book )

31 editions published between 2000 and 2014 in English and Undetermined and held by 469 WorldCat member libraries worldwide

"Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions." "This book is for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates."--Jacket
Second quantization-based methods in quantum chemistry by Poul Jørgensen( Book )

15 editions published between 1981 and 2014 in English and held by 327 WorldCat member libraries worldwide

Second Quantization-Based Methods in Quantum Chemistry presents several modern quantum chemical tools that are being applied to electronic states of atoms and molecules. Organized into six chapters, the book emphasizes the quantum chemical methods whose developments and implementations have been presented in the language of second quantization. The opening chapter of the book examines the representation of the electronic Hamiltonian, other quantum-mechanical operators, and state vectors in the second-quantization language. This chapter also describes the unitary transformations among ortho
Problems in quantum chemistry by Poul Jorgensen( Book )

16 editions published between 1981 and 1983 in English and Undetermined and held by 282 WorldCat member libraries worldwide

Geometrical derivatives of energy surfaces and molecular properties by Poul Jørgensen( Book )

14 editions published in 1986 in English and held by 154 WorldCat member libraries worldwide

The development and computational implementation of analytical expres­ sions for the low-order derivatives of electronic energy surfaces and other molecular properties has undergone rapid growth in recent years. It is now fairly routine for chemists to make use of energy gradient information in locating and identifying stable geometries and transition states. The use of second analytical derivative (Hessian or curvature) expressions is not yet routine, and third and higher energy derivatives as well as property (e.g., dipole moment, polarizability) derivatives are just beginning to be applied to chemical problems. This NATO Advanced Research Workshop focused on analyzing the re­ lative merits of various strategies for deriving the requisite analyti­ cal expressions, for computing necessary integral derivatives and wave­ function parameter derivatives, and for efficiently coding these expres­ sions on conventional scalar machines and vector-oriented computers. The participant list contained many scientists who have been instrumen­ tal in bringing this field to fruition as well as eminent scientists who have broad knowledge and experience in quantum chemistry in general
Response theory and molecular properties : a tribute to Jan Linderberg and Poul Jørgensen( )

3 editions published in 2005 in English and held by 147 WorldCat member libraries worldwide

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics on the use of quantum mechanical methods to calculate molecular properties including response properties. Linear and non-linear response methods have been developed and implemented for most of the approximate wave functions used in quantum chemistry, giving a range of computational methods of varying cost and accuracy. Thus it is presently possible to calculate for example excitation energies, linear and nonlinear optical properties, one- and multi-photon transition rates, and magnetically induced transition moments for a wide range of molecules and target accuracies. These calculations aid in the interpretation of a wide range of spectroscopy including electron spin resonance, nuclear magnetic resonance and magnetic circular dichroism and general laser spectroscopy
Geometrical Derivatives of Energy Surfaces and Molecular Properties by Poul Jørgensen( )

1 edition published in 1986 in English and held by 45 WorldCat member libraries worldwide

The development and computational implementation of analytical expres sions for the low-order derivatives of electronic energy surfaces and other molecular properties has undergone rapid growth in recent years. It is now fairly routine for chemists to make use of energy gradient information in locating and identifying stable geometries and transition states. The use of second analytical derivative (Hessian or curvature) expressions is not yet routine, and third and higher energy derivatives as well as property (e.g., dipole moment, polarizability) derivatives are just beginning to be applied to chemical problems. This NATO Advanced Research Workshop focused on analyzing the re lative merits of various strategies for deriving the requisite analyti cal expressions, for computing necessary integral derivatives and wave function parameter derivatives, and for efficiently coding these expres sions on conventional scalar machines and vector-oriented computers. The participant list contained many scientists who have been instrumen tal in bringing this field to fruition as well as eminent scientists who have broad knowledge and experience in quantum chemistry in general
Projekt notat( Book )

4 editions published in 1987 in Danish and English and held by 7 WorldCat member libraries worldwide

Projekt notat. Pilot-projekt( Book )

4 editions published in 1984 in Danish and English and held by 7 WorldCat member libraries worldwide

Projekt notat. Utilization of the Training School( Book )

3 editions published in 1987 in English and held by 6 WorldCat member libraries worldwide

Hassan kommer til Danmark by Dorthe Svendsen( Book )

3 editions published between 1973 and 1975 in Danish and Undetermined and held by 6 WorldCat member libraries worldwide

Projekt notat. Erhvervspraktik( Book )

3 editions published in 1985 in Danish and English and held by 6 WorldCat member libraries worldwide

Projekt notat. Pædagogiske spil( Book )

3 editions published in 1985 in Danish and English and held by 6 WorldCat member libraries worldwide

Projekt notat. Arbejdslivsorientering for folkeskolens yngste klasser( Book )

3 editions published in 1987 in Danish and English and held by 6 WorldCat member libraries worldwide

Projekt notat. Valgfagsorientering i 7. klasse( Book )

3 editions published in 1986 in Danish and English and held by 5 WorldCat member libraries worldwide

Projekt notat. Uddannelsesintroduktionskursus på gymnasium, handelsskole, specialarbejderskole og teknisk skole i Aalborg( Book )

3 editions published in 1984 in Danish and English and held by 5 WorldCat member libraries worldwide

Projekt notat. Working group concerning pupils with psychological problems( Book )

2 editions published in 1987 in English and held by 4 WorldCat member libraries worldwide

Projekt notat. Workshop om erhvervspraktik/arbejdserfaring i Rotterdam( Book )

2 editions published in 1985 in Danish and English and held by 4 WorldCat member libraries worldwide

Projekt notat. Kursus i brug af Værkstedsskolen for klasselærere i 8. klasse( Book )

2 editions published in 1986 in Danish and English and held by 4 WorldCat member libraries worldwide

 
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Molecular electronic-structure theory
Covers
Geometrical derivatives of energy surfaces and molecular propertiesResponse theory and molecular properties : a tribute to Jan Linderberg and Poul Jørgensen
Alternative Names
Jorgensen, Poul 1944-

Poul Jørgensen Danish chemist

Poul Jørgensen dansk kemiker

Languages
English (97)

Danish (20)