Clearly documents the course of Zora Neale Hurston's remarkable literary career and her rise from near obscurity at the time of her death to acknowledgment in the 1990s as the foremost writer of the ...Harlem Renaissance.
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•Accurate all-electron basis sets for H-Xe are generated.•Dissociation energies and polarizabilities of some elements have been reported.•Electronic structures of thirteen diatomic ...molecules are determined.•Scalar relativistic effects of atomic and molecular properties are estimated.•The performances of the ZORA and DKH Hamiltonians are assessed.
Segmented all-electron basis set of triple zeta valence quality plus polarization functions for the elements from H to Xe to be used together with the ZORA Hamiltonian is developed. This set was augmented with diffuse functions in order to properly describe electrons distant from the nuclei. At the ZORA-CCSD(T) level of theory, ionization energies and mean dipole polarizabilities of some atoms as well as bond lengths, dissociation energies, and harmonic vibrational frequencies of a set of molecules are calculated. Scalar relativistic effects are estimated for all properties. The performances of the ZORA and DKH2 Hamiltonians are also assessed.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
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•Accurate all-electron basis sets for fifth-row atoms are constructed.•Ionization energies and polarizabilities of some elements were calculated.•Electronic structures of ten diatomic ...molecules were studied.•The performances of the ZORA and DKH Hamiltonians are assessed.
Segmented all-electron basis set of double zeta valence quality plus polarization functions (DZP) to be used with the zero-order regular approximation (ZORA) scalar relativistic Hamiltonian was developed for the elements Cs, Ba, La, and from Hf to Rn. This set was augmented with diffuse functions for the purpose of describing electrons distant from atomic nuclei. Using the ZORA-B3LYP method, some atomic and molecular properties are computed. Benchmark theoretical results and experimental data were used to evaluate the performance of the DZP-ZORA and ADZP-ZORA basis sets. Despite their small sizes, these sets have proven to be accurate and reliable and can also be used in property calculations involving electrons not only from the outer shells, but also from the inner shells. Comparison of second order Douglas-Kroll-Hess and ZORA results was made.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UILJ, UL, UM, UPCLJ, UPUK, ZAGLJ, ZRSKP
Iconic as a novelist and popular cultural figure, Zora Neale Hurston remains underappreciated as an anthropologist. Is it inevitable that Hurston's literary authority should eclipse her ...anthropological authority? If not, what socio-cultural and institutional values and processes shape the different ways we read her work? Jennifer L. Freeman Marshall considers the polar receptions to Hurston's two areas of achievement by examining the critical response to her work across both fields. Drawing on a wide range of readings, Freeman Marshall explores Hurston's popular appeal as iconography, her elevation into the literary canon, her concurrent marginalization in anthropology despite her significant contributions, and her place within constructions of Black feminist literary traditions. Perceptive and original, Ain't I an Anthropologist is an overdue reassessment of Zora Neale Hurston's place in American cultural and intellectual life.
Zora Neale Hurston wrote her most famous novel, Their Eyes Were Watching God, while in Haiti on a trip funded by a Guggenheim fellowship to research the region's transatlantic folk and religious ...culture; this work grounded what would become her ethnography Tell My Horse: Voodoo and Life in Haiti and Jamaica. The essays in Zora Neale Hurston, Haiti, and "Their Eyes Were Watching God" persuasively demonstrate that Hurston's study of Haitian Voudoun informed the characterization, plotting, symbolism, and theme of her novel. Much in the way that Voudoun and its North American derivative Voodoo are syncretic religions, Hurston's fiction enacts a syncretic, performative practice of reference, freely drawing upon Greco-Roman, Judeo-Christian, and Haitian Voudoun mythologies for its political, aesthetic, and philosophical underpinnings. Zora Neale Hurston, Haiti, and "Their Eyes Were Watching God" connects Hurston's work more firmly to the cultural and religious flows of the African diaspora and to the literary practice by twentieth-century American writers of subscripting in their fictional texts symbols and beliefs drawn from West and Central African religions.
From the segmented all-electron basis set of double zeta valence quality plus polarization functions (DZP) for the elements from H to Xe, the zeroth-order regular approximation (ZORA) is used to ...generate a DZP-ZORA basis set, i.e., the contraction coefficients of the DZP set are re-optimized using the minimum ZORA energy criterion. To properly describe electrons distant from the nuclei, a diffuse function is added to each atomic symmetry (
s
,
p
,
d
, and
f
). The later basis set is designated as DZP-ZORA augmented. To test the effectiveness of the basis sets developed in this work, calculations of ionization energies and mean dipole polarizabilities of some elements are performed using the ZORA-CCSD(T) method. At the same level of theory, bond lengths, dissociation energies, and harmonic vibrational frequencies of some diatoms are also reported. Comparison with experimental data and recommended values available in the literature is made. Except for polarizability, scalar relativistic effects are estimated for the other properties. The performances of the ZORA and second-order Douglas-Kroll-Hess Hamiltonians are evaluated.
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EMUNI, FIS, FZAB, GEOZS, GIS, IJS, IMTLJ, KILJ, KISLJ, MFDPS, NLZOH, NUK, OILJ, PNG, SAZU, SBCE, SBJE, SBMB, SBNM, UKNU, UL, UM, UPUK, VKSCE, ZAGLJ
Their Eyes Were Watching God is a key text in African American literature. Its author Zora Neale Hurston has become an iconic figure for her literary works and for her invaluable contribution to ...documenting elements of black folk culture in the rural south and in the Caribbean. This introductory book designed for students explores Hurston's artistic achievements and her unique character: her staunch individualism, her penchant for drama, her sometimes controversial politics, her philosophical influences and her views on gender relations. Lovalerie King explores Hurston's life and analyses her major works and short stories. Historical, social, political, and cultural contexts for Hurston's life and work, including her key role in the development of the Harlem Renaissance, are set out. The book concludes with an overview of the reception of Hurston's work, both in her lifetime and up to the present, as well as suggestions for further reading.
Segmented all-electron basis set of triple zeta valence quality plus polarization functions (TZP) for the elements of the fifth row to be used together with the zero-order regular approximation ...(ZORA) is carefully constructed. To correctly describe electrons distant from atomic nuclei, the basis set is augmented with diffuse functions giving rise to a set designated as ATZP-ZORA. At the ZORA-B3LYP theoretical level, these sets are used to calculate the ionization energy and mean dipole polarizability of some atoms, bond length, dissociation energy, and harmonic vibrational frequency of diatomic molecules. Then, these results are compared with the theoretical and experimental data found in the literature. Even considering that our sets are relatively compact, they are sufficiently accurate and reliable to perform property calculations involving simultaneously electrons from the inner shell and outer shell. The performances of the ZORA and second-order Douglas–Kroll–Hess Hamiltonians are evaluated and the results are also discussed.
Segmented all‐electron relativistically contracted (SARC) basis sets are presented for the elements 37Rb–54Xe, for use with the second‐order Douglas–Kroll–Hess approach and the zeroth‐order regular ...approximation. The basis sets have a common set of exponents produced with established heuristic procedures, but have contractions optimized individually for each scalar relativistic Hamiltonian. Their compact size and loose segmented contraction, which is in line with the construction of SARC basis sets for heavier elements, makes them suitable for routine calculations on large systems and when core spectroscopic properties are of interest. The basis sets are of triple‐zeta quality and come in singly or doubly polarized versions, which are appropriate for both density functional theory and correlated wave function theory calculations. The quality of the basis sets is assessed against large decontracted reference basis sets for a number of atomic and ionic properties, while their general applicability is demonstrated with selected molecular examples.
Segmented all‐electron relativistically contracted (SARC) basis sets are constructed for the elements Rb–Xe, for use with the popular second‐order Douglas–Kroll–Hess approach and zeroth‐order regular approximation scalar relativistic Hamiltonians.
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BFBNIB, FZAB, GIS, IJS, KILJ, NLZOH, NUK, OILJ, SAZU, SBCE, SBMB, UL, UM, UPUK
Abstract A segmented basis set of quadruple zeta valence quality plus polarization functions (QZP) for H through Xe was developed to be used in conjunction with the ZORA Hamiltonian. This set was ...augmented with diffuse functions to describe electrons farther away from the nuclei adequately. Using the ZORA-CCSD(T)/QZP-ZORA theoretical model, atomic ionization energies and bond lengths, harmonic vibrational frequencies, and atomization energies of some molecules were calculated. The addition of core-valence corrections has been shown to improve the agreement between theoretical and experimental results for molecular properties. For atomization energies, a similar observation emerges when considering spin-orbit couplings. With the augmented QZP-ZORA set, static mean dipole polarizabilities of a set of atoms were calculated and compared with previously published recommended and experimental values. Performance evaluations of the ZORA and Douglas–Kroll–Hess Hamiltonians were made for each property studied.
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