Determination of electronic chemical potential within density functional theory

The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem. Phys. 69 (1978) 4431] is tested with various approximate energy functionals being used. The results obtained are discussed in the context of the functional N-representability condition. It has been demonstrated that the Euler-Lagrange equation proposed by Donnelly and Parr has no solutions within the set of N-representable density matrices. It follows that the validity of Sanderson's Principle of Electronegativity Equalization is open to question. Techniques for evaluating the electronic chemical potential within density functional theory are briefly discussed. The approximation of the electronic chemical potential with the three-point finite-difference scheme seems to be the most relevant route to its evaluation at the present stage of development. (C) 2000 Elsevier Science B.V

Quantitative analyses and modelling to support achievement of the 2020 goals for nine neglected tropical diseases

Quantitative analysis and mathematical models are useful tools in informing strategies to control or eliminate disease. Currently, there is an urgent need to develop these tools to inform policy to achieve the 2020 goals for neglected tropical diseases (NTDs). In this paper we give an overview of a collection of novel model-based analyses which aim to address key questions on the dynamics of transmission and control of nine NTDs: Chagas disease, visceral leishmaniasis, human African trypanosomiasis, leprosy, soil-transmitted helminths, schistosomiasis, lymphatic filariasis, onchocerciasis and trachoma. Several common themes resonate throughout these analyses, including: the importance of epidemiological setting on the success of interventions; targeting groups who are at highest risk of infection or re-infection; and reaching populations who are not accessing interventions and may act as a reservoir for infection,. The results also highlight the challenge of maintaining elimination ‘as a public health problem’ when true elimination is not reached. The models elucidate the factors that may be contributing most to persistence of disease and discuss the requirements for eventually achieving true elimination, if that is possible. Overall this collection presents new analyses to inform current control initiatives. These papers form a base from which further development of the models and more rigorous validation against a variety of datasets can help to give more detailed advice. At the moment, the models’ predictions are being considered as the world prepares for a final push towards control or elimination of neglected tropical diseases by 2020

Quantitative analyses and modelling to support achievement of the 2020 goals for nine neglected tropical diseases

Quantitative analysis and mathematical models are useful tools in informing strategies to control or eliminate disease. Currently, there is an urgent need to develop these tools to inform policy to achieve the 2020 goals for neglected tropical diseases (NTDs). In this paper we give an overview of a collection of novel model-based analyses which aim to address key questions on the dynamics of transmission and control of nine NTDs: Chagas disease, visceral leishmaniasis, human African trypanosomiasis, leprosy, soil-transmitted helminths, schistosomiasis, lymphatic filariasis, onchocerciasis and trachoma. Several common themes resonate throughout these analyses, including: the importance of epidemiological setting on the success of interventions; targeting groups who are at highest risk of infection or re-infection; and reaching populations who are not accessing interventions and may act as a reservoir for infection,. The results also highlight the challenge of maintaining elimination 'as a public health problem' when true elimination is not reached. The models elucidate the factors that may be contributing most to persistence of disease and discuss the requirements for eventually achieving true elimination, if that is possible. Overall this collection presents new analyses to inform current control initiatives. These papers form a base from which further development of the models and more rigorous validation against a variety of datasets can help to give more detailed advice. At the moment, the models' predictions are being considered as the world prepares for a final push towards control or elimination of neglected tropical diseases by 2020

Quantitative analyses and modelling to support achievement of the 2020 goals for nine neglected tropical diseases

Quantitative analysis and mathematical models are useful tools in informing strategies to control or eliminate disease. Currently, there is an urgent need to develop these tools to inform policy to achieve the 2020 goals for neglected tropical diseases (NTDs). In this paper we give an overview of a collection of novel model-based analyses which aim to address key questions on the dynamics of transmission and control of nine NTDs: Chagas disease, visceral leishmaniasis, human African trypanosomiasis, leprosy, soil-transmitted helminths, schistosomiasis, lymphatic filariasis, onchocerciasis and trachoma. Several common themes resonate throughout these analyses, including: the importance of epidemiological setting on the success of interventions; targeting groups who are at highest risk of infection or re-infection; and reaching populations who are not accessing interventions and may act as a reservoir for infection,. The results also highlight the challenge of maintaining elimination ‘as a public health problem’ when true elimination is not reached. The models elucidate the factors that may be contributing most to persistence of disease and discuss the requirements for eventually achieving true elimination, if that is possible. Overall this collection presents new analyses to inform current control initiatives. These papers form a base from which further development of the models and more rigorous validation against a variety of datasets can help to give more detailed advice. At the moment, the models’ predictions are being considered as the world prepares for a final push towards control or elimination of neglected tropical diseases by 2020

Determination of electronic chemical potential within density functional theory

The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem. Phys. 69 (1978) 4431] is tested with various approximate energy functionals being used. The results obtained are discussed in the context of the functional N-representability condition. It has been demonstrated that the Euler-Lagrange equation proposed by Donnelly and Parr has no solutions within the set of N-representable density matrices. It follows that the validity of Sanderson's Principle of Electronegativity Equalization is open to question. Techniques for evaluating the electronic chemical potential within density functional theory are briefly discussed. The approximation of the electronic chemical potential with the three-point finite-difference scheme seems to be the most relevant route to its evaluation at the present stage of development. (C) 2000 Elsevier Science B.V

Determination of electronic chemical potential within density functional theory

The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem. Phys. 69 (1978) 4431] is tested with various approximate energy functionals being used. The results obtained are discussed in the context of the functional N-representability condition. It has been demonstrated that the Euler-Lagrange equation proposed by Donnelly and Parr has no solutions within the set of N-representable density matrices. It follows that the validity of Sanderson's Principle of Electronegativity Equalization is open to question. Techniques for evaluating the electronic chemical potential within density functional theory are briefly discussed. The approximation of the electronic chemical potential with the three-point finite-difference scheme seems to be the most relevant route to its evaluation at the present stage of development. (C) 2000 Elsevier Science B.V

Determination of electronic chemical potential within density functional theory

The Donnelly-Parr version of the density-matrix functional theory [R.A. Donnelly, R.G. Parr, J. Chem. Phys. 69 (1978) 4431] is tested with various approximate energy functionals being used. The results obtained are discussed in the context of the functional N-representability condition. It has been demonstrated that the Euler-Lagrange equation proposed by Donnelly and Parr has no solutions within the set of N-representable density matrices. It follows that the validity of Sanderson's Principle of Electronegativity Equalization is open to question. Techniques for evaluating the electronic chemical potential within density functional theory are briefly discussed. The approximation of the electronic chemical potential with the three-point finite-difference scheme seems to be the most relevant route to its evaluation at the present stage of development. (C) 2000 Elsevier Science B.V

Quantitative analyses and modelling to support achievement of the 2020 goals for nine neglected tropical diseases

Quantitative analysis and mathematical models are useful tools in informing strategies to control or eliminate disease. Currently, there is an urgent need to develop these tools to inform policy to achieve the 2020 goals for neglected tropical diseases (NTDs). In this paper we give an overview of a collection of novel model-based analyses which aim to address key questions on the dynamics of transmission and control of nine NTDs: Chagas disease, visceral leishmaniasis, human African trypanosomiasis, leprosy, soil-transmitted helminths, schistosomiasis, lymphatic filariasis, onchocerciasis and trachoma. Several common themes resonate throughout these analyses, including: the importance of epidemiological setting on the success of interventions; targeting groups who are at highest risk of infection or re-infection; and reaching populations who are not accessing interventions and may act as a reservoir for infection,. The results also highlight the challenge of maintaining elimination 'as a public health problem' when true elimination is not reached. The models elucidate the factors that may be contributing most to persistence of disease and discuss the requirements for eventually achieving true elimination, if that is possible. Overall this collection presents new analyses to inform current control initiatives. These papers form a base from which further development of the models and more rigorous validation against a variety of datasets can help to give more detailed advice. At the moment, the models' predictions are being considered as the world prepares for a final push towards control or elimination of neglected tropical diseases by 2020