عنوان

Computational Techniques in Quantum Chemistry and Molecular Physics :

شابک

9401018154

شابک

9401018170

شابک

9789401018159

شابک

9789401018173

شماره

b594328

عنوان اصلي

Computational Techniques in Quantum Chemistry and Molecular Physics :

نام عام مواد

[Book]

ساير اطلاعات عنواني

Proceedings of the NATO Advanced Study Institute held at Ramsau, Germany, 4-21 September, 1974

نام نخستين پديدآور

edited by G.H.F. Diercksen, B.T. Sutcliffe, A. Veillard.

محل نشرو پخش و غیره

Dordrecht

نام ناشر، پخش کننده و غيره

Springer Netherlands

تاریخ نشرو بخش و غیره

1975

نام خاص و کميت اثر

(580 pages)

عنوان فروست

NATO advanced study institutes series., Series C,, Mathematical and physical sciences ;, 15.

متن يادداشت

Fundamentals of Computational Quantum Chemistry --; Fundamentals of Computer Hard- and Software in Relation to Quantum Chemical Calculations --; The Logic of Self-Consistent-Field Procedures --; The Configuration Interaction Method --; Molecular Properties --; An Introduction to Molecular Integral Evaluation --; Correlated Wavefunctions --; Pair Functions and Diagrammatic Perturbation Theory --; Some Applications of Projection Operators --; Molecules in Astrophysics.

متن يادداشت

This book contains the transcripts of the lectures presented at the NATO Advanced study Institute on "Computational Techniques in Quantum Chemistry and Molecular Physics", held at Ramsau, Germany, 4th - 21st Sept. 1974. Quantum theory was developed in the early decades of this century and was first applied to problems in chemistry and molecular physics as early as 1927. It soon emerged however, that it was impossible to con sider any but the simplest systems in any quantita tive detail because of the complexity of Schrodinger's equation which is the basic equation for chemical and molecular physics applications. This remained the si tuation until the development, after 1950, of elec tronic digital computers. It then became possible to attempt approximate solutions of Schrodinger's equa tion for fairly complicated systems, to yield results which were sufficiently accurate to make comparison with experiment meaningful. Starting in the early nineteen sixties in the United States at a few centres with access to good computers an enormous amount of work went into the development and implementation of schemes for approximate solu tions of Schrodinger's equation, particularly the de velopment of the Hartree-Fock self-consistent-field scheme. But it was soon found that the integrals needed for application of the methods to molecular problems are far from trivial to evaluate and cannot be easily approximated.

عنوان اصلي به زبان ديگر

Proceedings of the NATO Advanced Study Institute, Ramsan, Germany, September 4-21, 1974

موضوع مستند نشده

Computer science.

موضوع مستند نشده

Electronic data processing.

شماره رده

نشانه اثر

مستند نام اشخاص تاييد نشده

edited by G.H.F. Diercksen, B.T. Sutcliffe, A. Veillard.

مستند نام اشخاص تاييد نشده

A Veillard

مستند نام اشخاص تاييد نشده

B T Sutcliffe

مستند نام اشخاص تاييد نشده

G H F Diercksen

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y