Reformulation in mathematical programming: An application to quantum chemistry
نویسندگان
چکیده
منابع مشابه
Reformulation in mathematical programming: An application to quantum chemistry
This paper concerns the application of reformulation techniques in mathematical programming to a specific problem arising in quantum chemistry, namely the solution of Hartree-Fock systems of equations, which describe atomic and molecular electronic wave functions based on the minimization of a functional of the energy. Their traditional solution method does not provide a guarantee of global opt...
متن کاملAn Application of Mathematical Programming
The problem of sample allocation in multipurpose surveys is complicated by the fact that an efficient allocation for some estimates may be inefficient for others. There may also be precision goals that must be met for certain estimates plus constraints on costs and minimum sample sizes for strata to permit variance estimation. These requirements lead to formulating the allocation problem as one...
متن کاملan application of positive mathematical programming model to analyze the effects of alternative policies to water pricing in mashhad plain
abstract management of water resources in iran is faced with growing demand for water resources, a considerable increase in the costs of supplying additional water and uncontrolled exploitation of underground waters. economists suggest water pricing to improve water use efficiency; however, government tends to reject that advice due to political risk, economic and cultural concerns. we used a p...
متن کاملApplication of VENTSIM 3D and mathematical programming to optimize underground mine ventilation network: A case study
Ventilation is a vital component of an underground mining operation, used to guarantee a safe atmosphere for workers and survive them from the hazardous and toxic gases. In the recent years, engineers have begun to apply new operation research techniques in order to optimize the ventilation systems to assist in achieving a regulatory compliance, reduce ventilation costs, and improve its efficie...
متن کاملAdaptive Application Composition in Quantum Chemistry
Component interfaces, as advanced by the Common Component Architecture (CCA), enable easy access to complex software packages for high-performance scientific computing. A recent focus has been incorporating support for computational quality of service (CQoS), or the automatic composition, substitution, and dynamic reconfiguration of component applications. Several leading quantum chemistry pack...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Discrete Applied Mathematics
سال: 2009
ISSN: 0166-218X
DOI: 10.1016/j.dam.2007.08.044