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  • 1
    Electronic Resource
    Electronic Resource
    The method of interpolating integral equations for quantum Fluids.—III (1986)
    Springer
    Il nuovo cimento della Società Italiana di Fisica 8 (1986), S. 561-581 
    Details
    ISSN: 0392-6737
    Keywords: Fermi flluids: liquid helium-3
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Description / Table of Contents: Riassunto In due precedenti lavori è stata sviluppata una tecnica di interpolazione tra le approssimazioni (F)HNC e (F)PY per tenere conto dei cosiddetti contributi elementari nel calcolo delle proprietà dei fluidi quantistici a temperatura zero e descritti da funzioni d’onda con fattori di correlazione a corto raggio. Nel presente lavoro il metodo è esteso, per sistemi sia bosonici che fermionici, al caso in cui la funzione radiale di distribuzione contenga una coda con andamentor −4. Sono presentati i risultati ottenuti per l’energia per particella e la distribuzione di quantità di moto dell’4He liquido, dell’idrogeno polarizzato e dell’3He liquido, in corrispondenza a funzioni d’onda variazionali contenenti solo correlazioni di coppia.
    Abstract: Резюме В двух предыдущих работах был предложен метод интерполяции между (F)HNC и (F)PY подходами. В этих работах рассматривались свойства квантовых жидкостей при нулевой температуре, которые описываются волновыми функциями с короткодействующими корреляциями. В данной работе, для Бозеи Ферми-систем, предложенная тенхика обобщается на случай, когда двух-частичная радиальная функция распределения содержит длиннодействующий хвост, который спадает какr −4. Приводятся результаты для энергии на одну частицу и импульсное распределение для жидкого4He, поляризованного водорода и3H, причем соответствующие вариационные волновые функции содержат только двух-частичные корреляции.
    Notes: Summary A method for interpolating between the (F)HNC and (F)PY approaches in order to take into account elementary contributions has been presented in two preceding papers concerned with the properties of zero-temperature quantum fluids, described by short-range correlated wave functions. In the present paper, both for Bose and for Fermi systems, the technique is extended to the case in which the two-body radial distribution function contains a long-range tail, going asr −4. The results obtained for the energy per particle and momentum distribution of liquid4He, polarized hydrogen and3He are presented in correspondence to variational wave functions containing only two-particle correlations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02451083
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  • 2
    Electronic Resource
    Electronic Resource
    Atomic properties from energy-optimized wave functions (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 1166-1171 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Most of the variational Monte Carlo applications on quantum chemistry problems rely on variance-optimized wave functions. Recently, M. Snajdr and S. M. Rothstein, [J. Chem. Phys. 112, 4935 (2000)] have concluded that energy optimization allows one to obtain wave functions that provide better values for a wide variety of ground state properties. In this work we study the quality of energy-optimized wave functions obtained by using the methodology of Lin, Zhang, and Rappe [J. Chem. Phys. 112, 2650 (2000)], as compared with variance-optimized ones for He to Ne atoms. In order to assess this problem we calculate the energy and some other selected properties. The accuracy and performance of the energy-optimization method is studied. A comparison of properties calculated with energy-optimized wave functions to those existing in the literature and obtained by means of variance-optimized wave functions shows a better performance of the former. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1381408
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  • 3
    Electronic Resource
    Electronic Resource
    Momentum space densities for the beryllium isoelectronic series (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 8631-8636 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: One- and two-body densities in momentum space have been calculated for the atomic beryllium isoelectronic series starting from explicitly correlated multideterminant wave functions. The effects of electronic correlations have been systematically studied by comparing the correlated results with the corresponding Hartree–Fock ones. Some expectation values such as 〈δ(p(vector))〉, 〈pn〉, 〈δ(p(vector)12)〉, 〈p12n〉, 〈δ(P(vector))〉, and 〈Pn〉, where p(vector), p(vector)12, and P(vector) stand for the electron–nucleus, interelectronic, and two-electron center-of-mass momentum coordinates, respectively, and the angular correlation coefficient have been obtained. All the calculations have been carried out by using the Monte Carlo algorithm. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1316036
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  • 4
    Electronic Resource
    Electronic Resource
    Correlated electron extracule densities in position and momentum spaces (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 3319-3326 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Spherically averaged extracule densities in position, d(R), and momentum, d¯(P), spaces have been calculated for the atoms helium to neon starting from explicitly correlated wave functions. Correlated values for the electron–electron counterbalance density in position, d(0), and in momentum, d¯(0), spaces, and also for the expectation values 〈Rn〉 and 〈Pn〉 are reported. A systematic study of the electronic correlation has been performed by comparing the correlated results with the corresponding Hartree–Fock ones. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479665
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  • 5
    Electronic Resource
    Electronic Resource
    One- and two-body densities for the beryllium isoelectronic series (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 10903-10909 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: One- and two-body densities in position space have been calculated for the atomic beryllium isoelectronic series starting from explicitly correlated multideterminant wave functions. The effects of electronic correlations have been systematically studied by comparing the correlated results with the corresponding Hartree–Fock ones. Some expectation values such as 〈δ(r)〉, 〈rn〉, 〈δ(r12)〉, 〈r12n〉, 〈δ(R)〉, and 〈Rn〉, where r, r12, and R stand for the electron–nucleus, interelectronic, and two electron center of mass coordinates, respectively, have been obtained. All the calculations have been carried out by using the Monte Carlo algorithm. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480485
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  • 6
    Electronic Resource
    Electronic Resource
    Expansion coefficients of scattering parameters in quantum thermodynamic perturbation theory
    Amsterdam : Elsevier
    Atomic Data and Nuclear Data Tables 42 (1989), S. 293-311 
    Details
    ISSN: 0092-640X
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Energy, Environment Protection, Nuclear Power Engineering , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1016/0092-640X(89)90009-0
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  • 7
    Electronic Resource
    Electronic Resource
    Correlated two-electron momentum properties for helium to neon atoms (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 5721-5727 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Two-electron properties in momentum space for the atoms helium to neon have been calculated starting from explicitly correlated wave functions. The different integrals involved in the calculation have been evaluated by using the Monte Carlo algorithm. In particular, the spherically averaged interelectronic momentum distribution, γ(2)(p12),its radial moments 〈p12n〉, with n=−2 to +3, the expectation value 〈p1⋅p2〉, and both the electron–electron coalescence, γ(2)(0), and counterbalance, Γ(2)(0), densities have been calculated. A systematic study of the electronic correlation has been performed by comparing the correlated results with the corresponding Hartree–Fock ones. Finally an analysis of the structure of the interelectronic momentum distribution in terms of its parallel and antiparallel components has been carried out. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.478470
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  • 8
    Electronic Resource
    Electronic Resource
    A variational Monte Carlo study of the 2s-2p near degeneracy in beryllium, boron, and carbon atoms (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 3346-3351 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We apply the variational Monte Carlo method to study the beryllium, boron, and carbon atoms. An explicitly correlated wave function is used in order to include the dynamic correlation among the electrons. The nondynamic correlation due to the 2s-2p near degeneracy effect present in these atoms is taken into account by using a multideterminant wave function. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.476929
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  • 9
    Electronic Resource
    Electronic Resource
    Correlated Monte Carlo electron-pair density for the atoms helium to neon (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 7075-7084 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The Monte Carlo method to obtain the electron-pair density for the atoms helium to neon has been applied. The wave functions of Schmidt and Moskowitz [J. Chem. Phys. 93, 4172 (1990)] to take into account the dynamic correlation among the electrons have been used. For the atoms Be, B and C we have considered the nondynamic correlation due to the near degeneracy 2s−2p by means of a configuration interaction wave function and for Li and Be we have also varied the central part of the wave function. A study of the differences between the correlated and the Hartree–Fock results has been carried out. Finally we have also calculated the interelectronic moments, 〈r12n〉, and the value of the electron pair density at the coalescence point for all the atoms considered. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477390
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  • 10
    Electronic Resource
    Electronic Resource
    On the polynomial solutions of ordinary differential equations of the fourth order (1985)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 26 (1985), S. 1547-1552 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: The density of zeros of polynomial solutions of ordinary differential equations of the fourth order with coefficients depending only on the independent variable is analyzed. The first four moments of such a density are given directly in terms of the coefficients which characterize the differential operator. Application to the nonclassical orthogonal polynomials corresponding to the names Krall–Legendre, Krall–Laguerre, and Krall–Jacobi is done. Global asymptotic properties of the zeros of these polynomials are also obtained.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.526915
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