David A Mazziotti: search on Z-Library

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1

Spectral difference methods for solving differential equations

David A. Mazziotti

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 122 KB

english, 1999

2

Uncertainty relations and reduced density matrices: Mapping many-body quantum mechanics onto four particles

Mazziotti, David, Erdahl, Robert

Journal:

Physical Review A

Year:

2001

Language:

english

File:

PDF, 91 KB

english, 2001

3

Invariance of the cumulant expansion under 1-particle unitary transformations in reduced density matrix theory

Marc D. Benayoun, Aiyan Lu, David A. Mazziotti

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 175 KB

english, 2004

4

Structure of Fermionic Density Matrices: Complete N-Representability Conditions

Mazziotti, David A.

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 135 KB

english, 2012

5

Two-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and Physics

Mazziotti, David A.

Journal:

Chemical Reviews

Year:

2012

Language:

english

File:

PDF, 807 KB

english, 2012

6

Anti-Hermitian part of the contracted Schrödinger equation for the direct calculation of two-electron reduced density matrices

Mazziotti, David

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 240 KB

english, 2007

7

Populations of Carbonic Acid Isomers at 210 K from a Fast Two-Electron Reduced-Density Matrix Theory

Schwerdtfeger, Christine A., Mazziotti, David A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.05 MB

english, 2011

8

Isoelectronic analogue of oxywater: a parametric two-electron reduced-density-matrix study of ammonia oxide

Hoy, Erik P., Schwerdtfeger, Christine A., Mazziotti, David A.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 278 KB

english, 2012

9

Connection of an elementary class of parametric two-electron reduced-density-matrix methods to the coupled electron-pair approximations

DePrince, A. Eugene, Mazziotti, David A.

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 230 KB

english, 2012

10

Comparison of one-dimensional and quasi-one-dimensional Hubbard models from the variational two-electron reduced-density-matrix method

Rubin, Nicholas C., Mazziotti, David A.

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2014

Language:

english

File:

PDF, 626 KB

english, 2014

11

Determining quantum bound-state eigenvalues and eigenvectors as functions of parameters in the Hamiltonian: an efficient evolutionary approach

MAZZIOTTI, DAVID A.

Journal:

Molecular Physics

Year:

1996

Language:

english

File:

PDF, 443 KB

english, 1996

12

Sufficient condition for the openness of a many-electron quantum system from the violation of a generalized Pauli exclusion principle

Chakraborty, Romit, Mazziotti, David A.

Journal:

Physical Review A

Year:

2015

Language:

english

File:

PDF, 3.06 MB

english, 2015

13

Scaling Mount Impossible: A Festschrift for Dudley Herschbach

Friedrich, Bretislav, Kais, Sabre, Mazziotti, David

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 218 KB

english, 2012

14

Role of the generalized pauli constraints in the quantum chemistry of excited states

Chakraborty, Romit, Mazziotti, David A.

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 417 KB

english, 2016

15

Enhanced Constraints for Accurate Lower Bounds on Many-Electron Quantum Energies from Variational Two-Electron Reduced Density Matrix Theory

Mazziotti, David A.

Journal:

Physical Review Letters

Year:

2016

Language:

english

File:

PDF, 179 KB

english, 2016

16

Pair 2-electron reduced density matrix theory using localized orbitals

Head-Marsden, Kade, Mazziotti, David A.

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.20 MB

english, 2017

17

[Advances in Chemical Physics] Reduced-Density-Matrix Mechanics: With Application to Many-Electron Atoms and Molecules Volume 134 || Variational Two-Electron Reduced-Density-Matrix Theory

Mazziotti, David A.

Year:

2007

Language:

english

File:

PDF, 437 KB

english, 2007

18

Sparsity of the wavefunction from the generalized Pauli exclusion principle

Chakraborty, Romit, Mazziotti, David A.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 4.88 MB

english, 2018

19

Current-constrained density-matrix theory to calculate molecular conductivity with increased accuracy

Sajjan, Manas, Mazziotti, David A.

Journal:

Communications Chemistry

Year:

2018

Language:

english

File:

PDF, 715 KB

english, 2018

20

Experimental data from a quantum computer verifies the generalized Pauli exclusion principle

Smart, Scott E., Schuster, David I., Mazziotti, David A.

Journal:

Communications Physics

Year:

2019

Language:

english

File:

PDF, 561 KB

english, 2019

21

3,5-contracted Schrödinger equation: Determining quantum energies and reduced density matrices without wave functions

David A. Mazziotti

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 351 KB

english, 1998

22

Serum insulin-like growth factor I evaluation as a useful tool for predicting the risk of developing hepatocellular carcinoma in patients with hepatitis C virus-related cirrhosis : A prospective study

Gherardo Mazziotti, Francesca Sorvillo, Filomena Morisco, Antonella Carbone, Mario Rotondi, Gianfranca Stornaiuolo, Davide F. Precone, Michele Cioffi, Giovanni B. Gaeta, Nicola Caporaso, Carlo Carella

Journal:

Year:

2002

Language:

english

File:

PDF, 108 KB

english, 2002

23

Anomalous development of the hepatobiliary system in the inv mouse

Mark V. Mazziotti, Lauren K. Willis, Robert O. Heuckeroth, Marie C. LaRegina, Paul E. Swanson, Paul A. Overbeek, David H. Perlmutter

Journal:

Year:

1999

Language:

english

File:

PDF, 334 KB

english, 1999

24

Variational reduced-density-matrix theory: strength of Hamiltonian-dependent positivity conditions

Gergely Gidofalvi, David A. Mazziotti

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 282 KB

english, 2004

25

Extraction of ionization energies from the ground-state two-particle reduced density matrix

John D. Farnum, David A. Mazziotti

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 258 KB

english, 2004

26

Trigonometric mapping for the electric field strength in molecular optimal control theory

John D. Farnum, David A. Mazziotti

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 174 KB

english, 2005

27

Recursively generated linear constraints for variational two-particle reduced-density-matrix theory

Tamás Juhász, Neil Shenvi, David A. Mazziotti

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 169 KB

english, 2007

28

Complete reconstruction of reduced density matrices

David A. Mazziotti

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 87 KB

english, 2000

29

Energy functional of the one-particle reduced density matrix: a geminal approach

David A Mazziotti

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 81 KB

english, 2001

30

Approximate solution for electron correlation through the use of Schwinger probes

David A Mazziotti

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 145 KB

english, 1998

31

Allelic Imbalance on 16q in Small, Unifocal Hepatocellular Carcinoma

Laura Gramantieri, Davide Trerè, Annalisa Pession, Fabio Piscaglia, Livia Masi, Stefano Gaiani, Alighieri Mazziotti, Luigi Bolondi

Journal:

Digestive Diseases and Sciences

Year:

2000

Language:

english

File:

PDF, 390 KB

english, 2000

32

Implementation of the time-dependent configuration-interaction singles method for atomic strong-field processes

Greenman, Loren, Ho, Phay, Pabst, Stefan, Kamarchik, Eugene, Mazziotti, David, Santra, Robin

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 985 KB

english, 2010

33

Isomerization of nitrosomethane to formaldoxime: Energies, geometries, and frequencies from the parametric variational two-electron reduced-density-matrix method

DePrince, A. Eugene, Mazziotti, David A.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 541 KB

english, 2010

34

Convex-set description of quantum phase transitions in the transverse Ising model using reduced-density-matrix theory

Schwerdtfeger, Christine A., Mazziotti, David A.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 420 KB

english, 2009

35

Significant conditions for the two-electron reduced density matrix from the constructive solution of N representability

Mazziotti, David A.

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 216 KB

english, 2012

36

Parametrization of the two-electron reduced density matrix for its direct calculation without the many-electron wave function: Generalizations and applications

Mazziotti, David

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 283 KB

english, 2010

37

Comment on “Density functional theory study of 1,2-dioxetanone decomposition in condensed phase”

Daniel Roca-Sanjuán, Marcus Lundberg, David A. Mazziotti, Roland Lindh

Journal:

Journal of Computational Chemistry

Year:

2012

Language:

english

File:

PDF, 1.26 MB

english, 2012

38

Parametric approach to variational two-electron reduced-density-matrix theory

DePrince, A., Mazziotti, David

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 260 KB

english, 2007

39

Publisher's Note: Parametric approach to variational two-electron reduced-density-matrix theory [Phys. Rev. A 76, 042501 (2007)]

DePrince, A., Mazziotti, David

Journal:

Physical Review A

Year:

2007

File:

PDF, 20 KB

2007

40

Parametrization of the Two-Electron Reduced Density Matrix for its Direct Calculation without the Many-Electron Wave Function

Mazziotti, David

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 130 KB

english, 2008

41

Parametric two-electron reduced-density-matrix method applied to computing molecular energies and properties at nonequilibrium geometries

DePrince, A. Eugene, Kamarchik, Eugene, Mazziotti, David A.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 362 KB

english, 2008

42

Two-electron reduced density matrices from the anti-Hermitian contracted Schrödinger equation: Enhanced energies and properties with larger basis sets

Mazziotti, David A.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 510 KB

english, 2007

43

Purification of correlated reduced density matrices

Mazziotti, David

Journal:

Physical Review E

Year:

2002

Language:

english

File:

PDF, 103 KB

english, 2002

44

Multireference many-electron correlation energies from two-electron reduced density matrices computed by solving the anti-Hermitian contracted Schrödinger equation

Mazziotti, David

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 121 KB

english, 2007

45

Anti-Hermitian Contracted Schrödinger Equation: Direct Determination of the Two-Electron Reduced Density Matrices of Many-Electron Molecules

Mazziotti, David

Journal:

Physical Review Letters

Year:

2006

Language:

english

File:

PDF, 140 KB

english, 2006

46

Towards idempotent reduced density matrices via particle-hole duality: McWeeny’s purification and beyond

Mazziotti, David

Journal:

Physical Review E

Year:

2003

Language:

english

File:

PDF, 91 KB

english, 2003

47

Photoexcited conversion of gauche-1,3-butadiene to bicyclobutane via a conical intersection: Energies and reduced density matrices from the anti-Hermitian contracted Schrödinger equation

Snyder, James W., Mazziotti, David A.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 438 KB

english, 2011

48

Balancing single- and multi-reference correlation in the chemiluminescent reaction of dioxetanone using the anti-Hermitian contracted Schrödinger equation

Greenman, Loren, Mazziotti, David A.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 582 KB

english, 2011

49

Measurement-driven reconstruction of many-particle quantum processes by semidefinite programming with application to photosynthetic light harvesting

Foley, Jonathan J., Mazziotti, David A.

Journal:

Physical Review A

Year:

2012

Language:

english

File:

PDF, 630 KB

english, 2012

50

Molecular properties from variational reduced-density-matrix theory with three-particle N-representability conditions

Gidofalvi, Gergely, Mazziotti, David A.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 357 KB

english, 2007