J. W. Gibbs, Elementary Principles in Statistical Mechanics (Yale University Press, New Haven, 1902), p. 207.
W. M. Elsasser, "On quantum measurements and the role of the uncertainty relations in statistical mechanics," Phys. Rev. 52, 987-999 (1937). 10.1103/physrev.52.987
E. H. Wichmann, "Density matrices arising from incomplete measurements," J. Math. Phys. 4, 884-896 (1963). 10.1063/1.1704014
E. T. Jaynes, "Information theory and statistical mechanics," Phys. Rev. 106, 620-630 (1957). 10.1103/physrev.106.620
E. T. Jaynes, Probability Theory: The Logic of Science (Cambridge University Press, Cambridge, 2003), p. 753.
S. Dagan and Y. Dothan, "Evaluation of an incompletely measured spin density matrix," Phys. Rev. D 26, 248-260 (1982). 10.1103/physrevd.26.248
N. Agmon, Y. Alhassid, and R. D. Levine, "An algorithm for finding the distribution of maximal entropy," J. Comput. Phys. 30, 250-258 (1979). 10.1016/0021-9991(79)90102-5
J. Wei and E. Norman, "On global representations of the solutions of linear differential equations as a product of exponentials," Proc. Am. Math. Soc. 15, 327-334 (1964). 10.1090/s0002-9939-1964-0160009-0
K. Komarova, F. Remacle, and R. D. Levine, "Surprisal of a quantum state: Dynamics, compact representation, and coherence effects," J. Chem. Phys. 153, 214105 (2020). 10.1063/5.0030272
R. C. Tolman, The Principles of Statistical Mechanics (Dover, New York, 1979), p. 704.
J. L. Kinsey, "Microscopic reversibility for rates of chemical reactions carried out with partial resolution of the product and reactant states," J. Chem. Phys. 54, 1206-1217 (1971). 10.1063/1.1674956
E. T. Jaynes, "The minimum entropy production principle," Annu. Rev. Phys. Chem. 31, 579-601 (1980). 10.1146/annurev.pc.31.100180.003051
D. N. Zubarev, Nonequilibrium Statistical Mechanics (Consultants Bureau, London, 1974), p. 489.
Y. Alhassid and R. D. Levine, "Entropy and chemical change. III. The maximal entropy (subject to constraints) procedure as a dynamical theory," J. Chem. Phys. 67, 4321-4339 (1977). 10.1063/1.434578
Y. Alhassid and R. D. Levine, "Connection between the maximal entropy and the scattering theoretic analyses of collision processes," Phys. Rev. A 18, 89-116 (1978). 10.1103/physreva.18.89
Y. Alhassid and R. D. Levine, "Collision experiments with partial resolution of final states: Maximum entropy procedure and surprisal analysis," Phys. Rev. C 20, 1775-1788 (1979). 10.1103/physrevc.20.1775
K. Komarova, H. Gattuso, R. D. Levine, and F. Remacle, "Quantum device emulates the dynamics of two coupled oscillators," J. Phys. Chem. Lett. 11, 6990-6995 (2020). 10.1021/acs.jpclett.0c01880
K. Komarova, F. Remacle, and R. D. Levine, "The density matrix via few dominant observables: The quantum interference in the isotope effect for atto-pumped N2," J. Chem. Phys. 155, 024109 (2021). 10.1063/5.0053784
C. Cohen-Tannoudji, B. Diu, and F. Laloe, Quantum Mechanics (Wiley, New York, 1977), Vol. I, p. 898.
G. K.-L. Chan, A. Keselman, N. Nakatani, Z. Li, and S. R. White, "Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms," J. Chem. Phys. 145, 014102 (2016). 10.1063/1.4955108
H. Wang and M. Thoss, "Multilayer formulation of the multiconfiguration time-dependent Hartree theory," J. Chem. Phys. 119, 1289-1299 (2003). 10.1063/1.1580111
W. Li, J. Ren, and Z. Shuai, "Numerical assessment for accuracy and GPU acceleration of TD-DMRG time evolution schemes," J. Chem. Phys. 152, 024127 (2020). 10.1063/1.5135363
S. Mainali, F. Gatti, D. Iouchtchenko, P.-N. Roy, and H.-D. Meyer, "Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains," J. Chem. Phys. 154, 174106 (2021). 10.1063/5.0047090
L. Freitag and M. Reiher, "The density matrix renormalization group for strong correlation in ground and excited states," in Quantum Chemistry and Dynamics of Excited States (John Wiley & Sons, 2020), pp. 205-245.
F. Remacle, T. G. Graeber, and R. D. Levine, "Thermodynamic energetics underlying genomic instability and whole-genome doubling in cancer," Proc. Natl. Acad. Sci. U. S. A. 117, 18880 (2020). 10.1073/pnas.1920870117
U. Fano, "Description of states in quantum mechanics by density matrix and operator techniques," Rev. Mod. Phys. 29, 74-93 (1957). 10.1103/revmodphys.29.74
R. D. Levine and C. E. Wulfman, "On the group-theoretical formulation for the time evolution of stochastic processes," Physica A 141, 489-508 (1987). 10.1016/0378-4371(87)90177-4
F. Iachello and R. D. Levine, Algebraic Theory of Molecules (Oxford University Press, New York, Oxford, 1995), p. 694.
Y. Alhassid, F. Gürsey, and F. Iachello, "Potential scattering, transfer matrix, and group theory," Phys. Rev. Lett. 50, 873-876 (1983). 10.1103/physrevlett.50.873
R. D. Levine, "Representation of one-dimensional motion in a Morse potential by a quadratic Hamiltonian," Chem. Phys. Lett. 95, 87-90 (1983). 10.1016/0009-2614(83)85071-4
R. D. Levine, "Algebraic approach to molecular structure and dynamics," in Intramolecular Dynamics, edited by J. Jortner and B. Pullman (D. Reidl Publishing Company, 1982), pp. 17-28.
S. Kais and R. D. Levine, "Directed states of molecules," J. Phys. Chem. 91, 5462-5465 (1987). 10.1021/j100305a017
W.-M. Zhang, D. H. Feng, and R. Gilmore, "Coherent states: Theory and some applications," Rev. Mod. Phys. 62, 867-927 (1990). 10.1103/revmodphys.62.867
I. S. Averbukh and N. F. Perelman, "Fractional revivals: Universality in the long-term evolution of quantum wave packets beyond the correspondence principle dynamics," Phys. Lett. A 139, 449-453 (1989). 10.1016/0375-9601(89)90943-2
A. Z. Li and W. G. Harter, "Quantum revivals of Morse oscillators and Farey-Ford geometry," Chem. Phys. Lett. 633, 208-213 (2015). 10.1016/j.cplett.2015.05.035
C. Warmuth, A. Tortschanoff, F. Milota, M. Leibscher, M. Shapiro, Y. Prior, I. S. Averbukh, W. Schleich, W. Jakubetz, and H. F. Kauffmann, "Molecular quantum dynamics in a thermal system: Fractional wave packet revivals probed by random-phase fluorescence interferometry," J. Chem. Phys. 114, 9901-9910 (2001). 10.1063/1.1369661
L. S. Cederbaum, H. Köppel, and W. Domcke, "Multimode vibronic coupling effects in molecules," Int. J. Quant. Chem. 20, 251-267 (1981). 10.1002/qua.560200828
R. Schneider and W. Domcke, "S1-S2 conical intersection and ultrafast S2 → S1 internal conversion in pyrazine," Chem. Phys. Lett. 150, 235-242 (1988). 10.1016/0009-2614(88)80034-4
G. A. Worth, H.-D. Meyer, H. Köppel, L. S. Cederbaum, and I. Burghardt, "Using the MCTDH wavepacket propagation method to describe multimode non-adiabatic dynamics," Int. Rev. Phys. Chem. 27, 569-606 (2008). 10.1080/01442350802137656
X. Xie, Y. Liu, Y. Yao, U. Schollwöck, C. Liu, and H. Ma, "Time-dependent density matrix renormalization group quantum dynamics for realistic chemical systems," J. Chem. Phys. 151, 224101 (2019). 10.1063/1.5125945
A. Katz, Principles of Statistical Mechanics: The Information Theory Approach (Freeman, San Francisco, 1967), p. 188.
F. Remacle, N. Kravchenko-Balasha, A. Levitzki, and R. D. Levine, "Information-theoretic analysis of phenotype changes in early stages of carcinogenesis," Proc. Natl. Acad. Sci. U. S. A. 107, 10324-10329 (2010). 10.1073/pnas.1005283107
N. Kravchenko-Balasha, A. Levitzki, A. Goldstein, V. Rotter, A. Gross, F. Remacle, and R. D. Levine, "On a fundamental structure of gene networks in living cells," Proc. Natl. Acad. Sci. U. S. A. 109, 4702-4707 (2012). 10.1073/pnas.1200790109
F. Remacle and R. D. Levine, "Statistical thermodynamics of transcription profiles in normal development and tumorigeneses in cohorts of patients," Eur. Biophys. J. 44, 709-726 (2015). 10.1007/s00249-015-1069-y
F. Remacle, A. S. Goldstein, and R. D. Levine, "Multivariate surprisal analysis of gene expression levels," Entropy 18, 445 (2016). 10.3390/e18120445
J. A. Gyamfi, "Fundamentals of quantum mechanics in Liouville space," Eur. J. Phys. 41, 063002 (2020). 10.1088/1361-6404/ab9fdd
R. B. Bernstein and R. D. Levine, "Entropy and chemical change. I. Characterization of product (and reactant) energy distributions in reactive molecular collisions: Information and entropy deficiency," J. Chem. Phys. 57, 434-449 (1972). 10.1063/1.1677983
G. H. Golub and C. F. V. Loan, Matrix Computations, 3rd ed. (John Hopkins University Press, Baltimore, 1996), p. 694.
R. D. Levine, "Information theory approach to molecular reaction dynamics," Annu. Rev. Phys. Chem. 29, 59-92 (1978). 10.1146/annurev.pc.29.100178.000423
R. D. Levine and R. B. Bernstein, "Energy disposal and energy consumption in elementary chemical reactions. Information theoretic approach," Acc. Chem. Res. 7, 393-400 (1974). 10.1021/ar50084a001
J. R. Klauder and B. Skagerstam, Coherent States (World Scientific Publishing Singapore, 1985), p. 932.
I. S. Averbukh, M. J. J. Vrakking, D. M. Villeneuve, and A. Stolow, "Wave packet isotope separation," Phys. Rev. Lett. 77, 3518-3521 (1996). 10.1103/physrevlett.77.3518
R. D. Levine and R. B. Bernstein, Molecular Reaction Dynamics (Oxford University Press, New York, 1974), p. 250.
