Trygve Helgaker (born August 11, 1953, in Porsgrunn, Norway) is professor of chemistry, Department of Chemistry, University of Oslo, Norway.
He is a member of the International Academy of Quantum Molecular Science, 2005.
He has written more than 200 scientific papers, and the book, Molecular Electronic-Structure Theory (Trygve Helgaker, Poul Jørgensen, and Jeppe Olsen, Wiley, Chichester, 2000). He is one of the main authors of the DALTON program.
Dalton is an ab initio quantum chemistry computer program suite, consisting of the Dalton and LSDalton programs. The Dalton suite is capable of calculating various molecular properties using the Hartree–Fock, MP2, MCSCF and coupled cluster theories. Version 2.0 of DALTON added support for density functional theory calculations. There are many authors, including Trygve Helgaker, Poul Jørgensen and Kenneth Ruud.
The International Academy of Quantum Molecular Science (IAQMS) is an international scientific learned society covering all applications of quantum theory to chemistry and chemical physics. It was created in Menton in 1967. The founding members were Raymond Daudel, Per-Olov Löwdin, Robert G. Parr, John Pople and Bernard Pullman. Its foundation was supported by Louis de Broglie.
Roy McWeeny was a British academic physicist and chemist.
Ernest R. Davidson, born October 12, 1936 in Terre Haute, Indiana, was Professor of Chemistry, University of Washington, Seattle, WA, US and Indiana University, Bloomington, IN, US. He graduated from Wiley High School, Terre Haute and Rose Polytechnic Institute, Terre Haute, and Indiana University, Bloomington, IN.
Werner Kutzelnigg was a prominent Austrian-born theoretical chemist and professor in the Chemistry Faculty, Ruhr-Universität Bochum, Germany. Kutzelnigg was born in Vienna. His most significant contributions were in the following fields: relativistic quantum chemistry, coupled cluster methods, theoretical calculation of NMR chemical shifts, explicitly correlated wavefunctions. He was a member of the International Academy of Quantum Molecular Science.
Leo Radom is a computational chemist and Emeritus Professor of Chemistry at the University of Sydney. He attended North Sydney Boys High School. He has a PhD and a DSc from the University of Sydney and carried out postdoctoral research under the late Sir John Pople. Previously, he was Professor at the Research School of Chemistry at the Australian National University in Canberra, Australia. He has published over 460 papers.
Peter Pulay is a theoretical chemist. He is the Roger B. Bost Distinguished Professor of Chemistry in the Department of Chemistry and Biochemistry at the University of Arkansas, U.S.
Bernard Pullman was a French theoretical quantum chemist and quantum biochemist.
Martin Philip Head-Gordon is a professor of chemistry at the University of California, Berkeley, and Lawrence Berkeley National Laboratory working in the area of computational quantum chemistry. He is a member of the International Academy of Quantum Molecular Science.
William Hughes Miller is a professor at the University of California, Berkeley and a leading researcher in the field of theoretical chemistry.
Peter Schwerdtfeger is a German scientist. He holds a chair in theoretical chemistry at Massey University in Auckland, New Zealand, serves as Director of the Centre for Theoretical Chemistry and Physics, is the Head of the New Zealand Institute for Advanced Study, and is a former president of the Alexander von Humboldt Foundation.
Shridhar Ramachandra Gadre is an Indian scientist working in computational quantum and theoretical chemistry.
The Centre for Theoretical and Computational Chemistry (CTCC) was founded by the Norwegian Research Council in 2007. The duration of the project is ten years. The CTCC is split in two units. One unit is located at the Department of Chemistry, University of Oslo (Leader: Prof. Trygve Helgaker), the other part is based at the Department of Chemistry, University of Tromsø. The CTCC is devoted to a wide range of research in the fields of theoretical and computational chemistry. One main focus is on method development in electronic structure theory. The CTCC is a key contributor to the Dalton (program) electronic structure program system. Another important topic of interest is the description of molecular dynamics with consideration of quantum effects. Applications of the electronic structure and molecular dynamics methods to chemical problems is another main occupation of researchers working at the CTCC.
Molecular Physics is a peer-reviewed scientific journal covering research on the interface between chemistry and physics, in particular chemical physics and physical chemistry. It covers both theoretical and experimental molecular science, including electronic structure, molecular dynamics, spectroscopy, reaction kinetics, statistical mechanics, condensed matter and surface science. The journal was established in 1958 and is published by Taylor & Francis. According to the Journal Citation Reports, the journal has a 2017 impact factor of 1.704.
Egil Andersen Hylleraas was a distinguished Norwegian theoretical physicist known for his simple but elegant method for predicting the ground state energy of two-electron atoms as well as trial wave functions for many-electron atoms.
Joseph Oakland Hirschfelder was an American physicist who participated in the Manhattan Project and in the creation of the nuclear bomb.
John C. Tully is a theoretical chemist, a researcher and Sterling Professor emeritus of Chemistry at Yale University. He is known for his development of surface hopping, a method for including excited states in molecular dynamics calculations. Much of his career was spent at Bell Labs, from 1970-1996, exploring theoretical chemistry and surface science. In 1996, he became a faculty member at Yale University, where he pursued research in physical chemistry and physics. He is a member of the National Academy of Sciences and the International Academy of Quantum Molecular Science. In 2020 he was awarded the NAS Award in Chemical Sciences.
Poul Jørgensen is professor of chemistry at the Department of Chemistry, Aarhus University (AU), Denmark and director of the qLEAP Center for Theoretical Chemistry at AU, which was established in April 2012. Jørgensen has made seminal contributions to the field of electronic structure theory. He is also one of the main authors of the DALTON program and a member of the International Academy of Quantum Molecular Science.
Mark S. Gordon is a professor of chemistry at Iowa State University, and Ames Laboratory working in the area of computational quantum chemistry. He is a member of The International Academy of Quantum Molecular Science.
Tang Aoqing, or Au-Chin Tang, was a Chinese theoretical chemist and educator, known as the "Father of Quantum Chemistry" in China. He established the Department of Chemistry of Jilin University, and served as President of the university from 1978 to 1986. He was a founding member of the Chinese Academy of Sciences and a member of the International Academy of Quantum Molecular Science (IAQMS). He established the National Natural Science Foundation of China in 1986 and served as its first president.