Pub Date : 1989-07-01DOI: 10.1016/0167-7977(89)90025-7
Pierre Claverie , Armelle Denis , Edouard Yeramian
{"title":"The representation of functions through the combined use of integral transforms and pade approximants: Pade-Laplace analysis of functions as sums of exponentials","authors":"Pierre Claverie , Armelle Denis , Edouard Yeramian","doi":"10.1016/0167-7977(89)90025-7","DOIUrl":"10.1016/0167-7977(89)90025-7","url":null,"abstract":"","PeriodicalId":100318,"journal":{"name":"Computer Physics Reports","volume":"9 5","pages":"Pages 247-299"},"PeriodicalIF":0.0,"publicationDate":"1989-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0167-7977(89)90025-7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84640369","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1989-06-01DOI: 10.1016/0167-7977(89)90003-8
Junichiro Makino, Piet Hut
{"title":"Gravitational N-body algorithms: A comparison between supercomputers and a highly parallel computer","authors":"Junichiro Makino, Piet Hut","doi":"10.1016/0167-7977(89)90003-8","DOIUrl":"10.1016/0167-7977(89)90003-8","url":null,"abstract":"","PeriodicalId":100318,"journal":{"name":"Computer Physics Reports","volume":"9 4","pages":"Pages 199-246"},"PeriodicalIF":0.0,"publicationDate":"1989-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0167-7977(89)90003-8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90191968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1989-04-01DOI: 10.1016/0167-7977(89)90002-6
Warren E. Pickett
The generalization from empirically determined screened pseudopotentials to self-consistently screened ab initio pseudopotentials had led to widespread use of the method in solid state applications. The method is reviewed here, beginning with the formal basis in density functional theory. Algorithms for solving the one-particle equations and evaluating the density functional expression for the energy are presented. Special attention is given to the developments in iteration to self-consistency, and to the implications of the variational nature of the energy. An extensive list is given of the broad range of applications of the self-consistent pseudopotential method for describing properties of condensed matter systems.
{"title":"Pseudopotential methods in condensed matter applications","authors":"Warren E. Pickett","doi":"10.1016/0167-7977(89)90002-6","DOIUrl":"10.1016/0167-7977(89)90002-6","url":null,"abstract":"<div><p>The generalization from empirically determined screened pseudopotentials to self-consistently screened <em>ab initio</em> pseudopotentials had led to widespread use of the method in solid state applications. The method is reviewed here, beginning with the formal basis in density functional theory. Algorithms for solving the one-particle equations and evaluating the density functional expression for the energy are presented. Special attention is given to the developments in iteration to self-consistency, and to the implications of the variational nature of the energy. An extensive list is given of the broad range of applications of the self-consistent pseudopotential method for describing properties of condensed matter systems.</p></div>","PeriodicalId":100318,"journal":{"name":"Computer Physics Reports","volume":"9 3","pages":"Pages 115-197"},"PeriodicalIF":0.0,"publicationDate":"1989-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0167-7977(89)90002-6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78330959","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1989-02-01DOI: 10.1016/S0167-7977(89)80001-2
F.H.M. Faisal
This paper shows how to use the Floquet—Green's function method to define and obtain stationary cross sections for radiative electron scattering and ionization in a strong laser field. The method is illustrated by solving a number of hitherto unsolved problems. The computational problem is thereby reduced to evaluating known functions and determinants.
{"title":"Floquet Green's function method for radiative electron scattering and multiphoton ionization in a strong laser field","authors":"F.H.M. Faisal","doi":"10.1016/S0167-7977(89)80001-2","DOIUrl":"10.1016/S0167-7977(89)80001-2","url":null,"abstract":"<div><p>This paper shows how to use the Floquet—Green's function method to define and obtain stationary cross sections for radiative electron scattering and ionization in a strong laser field. The method is illustrated by solving a number of hitherto unsolved problems. The computational problem is thereby reduced to evaluating known functions and determinants.</p></div>","PeriodicalId":100318,"journal":{"name":"Computer Physics Reports","volume":"9 2","pages":"Pages 57-113"},"PeriodicalIF":0.0,"publicationDate":"1989-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0167-7977(89)80001-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88116674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1988-10-01DOI: 10.1016/0167-7977(88)90011-1
William G. Harter
{"title":"Computer graphical and semiclassical approaches to molecular rotations and vibrations","authors":"William G. Harter","doi":"10.1016/0167-7977(88)90011-1","DOIUrl":"10.1016/0167-7977(88)90011-1","url":null,"abstract":"","PeriodicalId":100318,"journal":{"name":"Computer Physics Reports","volume":"8 6","pages":"Pages 319-394"},"PeriodicalIF":0.0,"publicationDate":"1988-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0167-7977(88)90011-1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73899190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 1988-09-01DOI: 10.1016/0167-7977(88)90003-2
Rex T. Skodje, John R. Cary
The adiabatic switching method is characterized through a discussion of formal adiabatic theory and through a variety of numerical examples. Adiabatic invariance theory for one degree of freedom problems is developed in detail. This provides a formal basis for the analysis of various aspects of the method. The role of: 1) the switching function, 2) the zero order reference Hamiltonian, and 3) ensemble averaging of results are addressed with more rigour function than in previous discussions. The use of adiabatic switching to implement EBK quantization is illustrated by a treatment of the Henon-Heiles system. It is shown how adiabatic switching is useful for periodic orbit determination and adiabatic propagation of semiclassical eigenstates. The behavior of the conjugate angle variables in near adiabatic dynamics is formally and numerically explored. The theory of adiabatic separatrix crossing is developed and several aspects of the theory are numerically tested for a time-dependent quartic double well.
{"title":"An analysis of the adiabatic switching method: Foundations and applications","authors":"Rex T. Skodje, John R. Cary","doi":"10.1016/0167-7977(88)90003-2","DOIUrl":"https://doi.org/10.1016/0167-7977(88)90003-2","url":null,"abstract":"<div><p>The adiabatic switching method is characterized through a discussion of formal adiabatic theory and through a variety of numerical examples. Adiabatic invariance theory for one degree of freedom problems is developed in detail. This provides a formal basis for the analysis of various aspects of the method. The role of: 1) the switching function, 2) the zero order reference Hamiltonian, and 3) ensemble averaging of results are addressed with more rigour function than in previous discussions. The use of adiabatic switching to implement EBK quantization is illustrated by a treatment of the Henon-Heiles system. It is shown how adiabatic switching is useful for periodic orbit determination and adiabatic propagation of semiclassical eigenstates. The behavior of the conjugate angle variables in near adiabatic dynamics is formally and numerically explored. The theory of adiabatic separatrix crossing is developed and several aspects of the theory are numerically tested for a time-dependent quartic double well.</p></div>","PeriodicalId":100318,"journal":{"name":"Computer Physics Reports","volume":"8 5","pages":"Pages 221-292"},"PeriodicalIF":0.0,"publicationDate":"1988-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0167-7977(88)90003-2","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91724994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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